2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H17F3N6OS — CID 129338421

IUPAC2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H17F3N6OS/c1-22(7-12(24)20-13-21-18-8-25-13)4-9-2-3-11-19-10(14(15,16)17)6-23(11)5-9/h6,8-9H,2-5,7H2,1H3,(H,20,21,24)/t9-/m0/s1
InChIKeyNAAOZTMWJMEPFQ-VIFPVBQESA-N
MW374.39 g/mol
LogP1.89
Rot. Bonds5

About 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 129338421) has the molecular formula C14H17F3N6OS and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID129338421
Molecular FormulaC14H17F3N6OS
Molecular Weight374.39 g/mol
Exact Mass374.11
IUPAC Name2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H17F3N6OS/c1-22(7-12(24)20-13-21-18-8-25-13)4-9-2-3-11-19-10(14(15,16)17)6-23(11)5-9/h6,8-9H,2-5,7H2,1H3,(H,20,21,24)/t9-/m0/s1
InChIKeyNAAOZTMWJMEPFQ-VIFPVBQESA-N
XLogP1.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 129005216
2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(oxan-4-yl)acetamide
CID 129338575
1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128966597
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129331629
N-[2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]ethanesulfonamide
CID 128966881
N,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-3-carboxamide
CID 129333228
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-carboxamide
CID 129001119
1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol
CID 128972822
2-N-methyl-2-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2,5-dicarboxamide
CID 129333834
1-methyl-3-(1-methylpyrazol-3-yl)-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129335103
1-methyl-3-(3-methyl-4-pyridinyl)-1-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129342140
1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330219

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 129338421) is 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NAAOZTMWJMEPFQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N6OS/c1-22(7-12(24)20-13-21-18-8-25-13)4-9-2-3-11-19-10(14(15,16)17)6-23(11)5-9/h6,8-9H,2-5,7H2,1H3,(H,20,21,24)/t9-/m0/s1.
What are the key properties of 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 374.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 129338421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).