N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H19N7OS — CID 165130069

IUPACN-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)cn1
InChIInChI=1S/C15H19N7OS/c1-21(2)4-3-5-22-9-12(8-18-22)19-14(23)13-10-24-15(20-13)11-6-16-17-7-11/h6-10H,3-5H2,1-2H3,(H,16,17)(H,19,23)
InChIKeyCJJIZRDDVRGDND-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.93
Rot. Bonds7

About N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130069) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130069
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC NameN-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)cn1
InChIInChI=1S/C15H19N7OS/c1-21(2)4-3-5-22-9-12(8-18-22)19-14(23)13-10-24-15(20-13)11-6-16-17-7-11/h6-10H,3-5H2,1-2H3,(H,16,17)(H,19,23)
InChIKeyCJJIZRDDVRGDND-UHFFFAOYSA-N
XLogP1.93
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130014
N-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129927
N-[1-[(3,3-dimethylcyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130080
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 171600710
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
2-(1H-pyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595712
N-(3-cyano-1-methylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638741
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129914
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130069) is N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CN(C)CCCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)cn1.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CJJIZRDDVRGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-21(2)4-3-5-22-9-12(8-18-22)19-14(23)13-10-24-15(20-13)11-6-16-17-7-11/h6-10H,3-5H2,1-2H3,(H,16,17)(H,19,23).
What are the key properties of N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).