N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide

C16H23N5OS — CID 164642601

IUPACN-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCc1nc(N2CCC[C@H](CNC(=O)c3cncn3C)C2)sc1C
InChIInChI=1S/C16H23N5OS/c1-11-12(2)23-16(19-11)21-6-4-5-13(9-21)7-18-15(22)14-8-17-10-20(14)3/h8,10,13H,4-7,9H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyJPKDJTJLXMYWCA-CYBMUJFWSA-N
MW333.46 g/mol
LogP2.14
Rot. Bonds4

About N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide

N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide (PubChem CID 164642601) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide
PubChem CID164642601
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide
SMILESCc1nc(N2CCC[C@H](CNC(=O)c3cncn3C)C2)sc1C
InChIInChI=1S/C16H23N5OS/c1-11-12(2)23-16(19-11)21-6-4-5-13(9-21)7-18-15(22)14-8-17-10-20(14)3/h8,10,13H,4-7,9H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeyJPKDJTJLXMYWCA-CYBMUJFWSA-N
XLogP2.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide (CID 164642601) is N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide is Cc1nc(N2CCC[C@H](CNC(=O)c3cncn3C)C2)sc1C.
What is the InChIKey of N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide?
The InChIKey is JPKDJTJLXMYWCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-12(2)23-16(19-11)21-6-4-5-13(9-21)7-18-15(22)14-8-17-10-20(14)3/h8,10,13H,4-7,9H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide?
N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 164642601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).