(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C17H19N3OS — CID 95771455

IUPAC(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CSc3ccccc31)C2
InChIInChI=1S/C17H19N3OS/c1-11-8-20-9-12(6-7-16(20)18-11)19-17(21)14-10-22-15-5-3-2-4-13(14)15/h2-5,8,12,14H,6-7,9-10H2,1H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyRVUQJNGQMPYWDU-JSGCOSHPSA-N
MW313.43 g/mol
LogP2.51
Rot. Bonds2

About (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide

(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 95771455) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID95771455
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CSc3ccccc31)C2
InChIInChI=1S/C17H19N3OS/c1-11-8-20-9-12(6-7-16(20)18-11)19-17(21)14-10-22-15-5-3-2-4-13(14)15/h2-5,8,12,14H,6-7,9-10H2,1H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyRVUQJNGQMPYWDU-JSGCOSHPSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95765845
(2S)-1-benzyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-2-carboxamide
CID 95766087
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773674
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
(2S)-2-methoxy-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylacetamide
CID 95765920
2,3-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765797
(2R)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylpropanamide
CID 95760029
(3S)-1-cyclopentyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 95137842
N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213384
(2S)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765991
1-(1-benzothiophen-3-yl)-3-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
CID 167763785
2,5-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136799

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 95771455) is (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide is Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CSc3ccccc31)C2.
What is the InChIKey of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is RVUQJNGQMPYWDU-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-8-20-9-12(6-7-16(20)18-11)19-17(21)14-10-22-15-5-3-2-4-13(14)15/h2-5,8,12,14H,6-7,9-10H2,1H3,(H,19,21)/t12-,14-/m0/s1.
What are the key properties of (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 95771455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).