N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide

C17H26N6OS — CID 95122940

IUPACN-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCCNC3)nn2)cs1
InChIInChI=1S/C17H26N6OS/c1-12(2)16-19-14(11-25-16)9-22(3)17(24)15-10-23(21-20-15)8-13-5-4-6-18-7-13/h10-13,18H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyHWJAGPGCRIORAJ-CYBMUJFWSA-N
MW362.50 g/mol
LogP2.13
Rot. Bonds6

About N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide

N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 95122940) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID95122940
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC NameN-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCCNC3)nn2)cs1
InChIInChI=1S/C17H26N6OS/c1-12(2)16-19-14(11-25-16)9-22(3)17(24)15-10-23(21-20-15)8-13-5-4-6-18-7-13/h10-13,18H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyHWJAGPGCRIORAJ-CYBMUJFWSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149
N-methyl-1-[[(3S)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119667
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119666
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 50980745
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CID 95189176
1-(piperidin-3-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxamide
CID 50949291
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707924
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95120626
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
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N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (CID 95122940) is N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is CC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCCNC3)nn2)cs1.
What is the InChIKey of N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is HWJAGPGCRIORAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-12(2)16-19-14(11-25-16)9-22(3)17(24)15-10-23(21-20-15)8-13-5-4-6-18-7-13/h10-13,18H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 95122940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).