5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C19H21N7O2S — CID 71060953

IUPAC5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C19H21N7O2S/c20-16(27)15-19(29-18(24-15)13-3-7-22-8-4-13)25-17(28)14-9-23-26(11-14)10-12-1-5-21-6-2-12/h3-4,7-9,11-12,21H,1-2,5-6,10H2,(H2,20,27)(H,25,28)
InChIKeyOKDBAKQZUSFJMY-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.75
Rot. Bonds6

About 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71060953) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71060953
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C19H21N7O2S/c20-16(27)15-19(29-18(24-15)13-3-7-22-8-4-13)25-17(28)14-9-23-26(11-14)10-12-1-5-21-6-2-12/h3-4,7-9,11-12,21H,1-2,5-6,10H2,(H2,20,27)(H,25,28)
InChIKeyOKDBAKQZUSFJMY-UHFFFAOYSA-N
XLogP1.75
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(S)-5-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 44199470
5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
CID 58464924
2-Methyl-5-(pyridin-3-ylamino)-thiazole-4-carboxylic acid (2-methyl-pyridin-4-yl)-amide
CID 11638418
N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 70692368
US9617282, Example 95
CID 118641364
10-(2-Morpholin-4-ylethyl)-17-oxa-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
CID 118719446
5-amino-N-(5-(4-aminocyclohexyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 58464763
5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 59455646
5-amino-N-(5-((4R,5R)-4-amino-5-fluorocycloheptyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 74983213
5-amino-N-[5-(3,3-difluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983218
5-amino-N-[5-[(4R,5S)-4-amino-5-fluorocycloheptyl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983223

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71060953) is 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccncc2)sc1NC(=O)c1cnn(CC2CCNCC2)c1.
What is the InChIKey of 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OKDBAKQZUSFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c20-16(27)15-19(29-18(24-15)13-3-7-22-8-4-13)25-17(28)14-9-23-26(11-14)10-12-1-5-21-6-2-12/h3-4,7-9,11-12,21H,1-2,5-6,10H2,(H2,20,27)(H,25,28).
What are the key properties of 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).