N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C16H17N5OS — CID 30134194

IUPACN-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H17N5OS/c1-12-14(23-16(20-12)13-4-2-5-17-10-13)15(22)19-6-3-8-21-9-7-18-11-21/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,19,22)
InChIKeyKPHWAABWERVTMF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.53
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 30134194) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID30134194
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C16H17N5OS/c1-12-14(23-16(20-12)13-4-2-5-17-10-13)15(22)19-6-3-8-21-9-7-18-11-21/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,19,22)
InChIKeyKPHWAABWERVTMF-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 30134194) is N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KPHWAABWERVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-14(23-16(20-12)13-4-2-5-17-10-13)15(22)19-6-3-8-21-9-7-18-11-21/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).