4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide

C19H21N7O2S — CID 17037536

IUPAC4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1/N=c1\sc(C(=O)N2CCCCC2)c(N)n1-c1ccccc1
InChIInChI=1S/C19H21N7O2S/c20-15-14(18(28)25-9-5-2-6-10-25)29-19(26(15)12-7-3-1-4-8-12)24-17-13(16(21)27)22-11-23-17/h1,3-4,7-8,11H,2,5-6,9-10,20H2,(H2,21,27)(H,22,23)/b24-19-
InChIKeyKTMCUFPWLHUZRN-CLCOLTQESA-N
MW411.49 g/mol
LogP1.80
Rot. Bonds4

About 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide

4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide (PubChem CID 17037536) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide
PubChem CID17037536
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1/N=c1\sc(C(=O)N2CCCCC2)c(N)n1-c1ccccc1
InChIInChI=1S/C19H21N7O2S/c20-15-14(18(28)25-9-5-2-6-10-25)29-19(26(15)12-7-3-1-4-8-12)24-17-13(16(21)27)22-11-23-17/h1,3-4,7-8,11H,2,5-6,9-10,20H2,(H2,21,27)(H,22,23)/b24-19-
InChIKeyKTMCUFPWLHUZRN-CLCOLTQESA-N
XLogP1.80
TPSA135.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

[4-amino-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 46287520
[4-amino-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42585324
[4-amino-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 22589815
azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 18108153
[4-amino-3-(2,6-diethylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 46287527
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
(4-aminothiadiazol-5-yl)-(azepan-1-yl)methanone
CID 117214630
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
[1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 86990968

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide (CID 17037536) is 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]cnc1/N=c1\sc(C(=O)N2CCCCC2)c(N)n1-c1ccccc1.
What is the InChIKey of 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide?
The InChIKey is KTMCUFPWLHUZRN-CLCOLTQESA-N. The full InChI is InChI=1S/C19H21N7O2S/c20-15-14(18(28)25-9-5-2-6-10-25)29-19(26(15)12-7-3-1-4-8-12)24-17-13(16(21)27)22-11-23-17/h1,3-4,7-8,11H,2,5-6,9-10,20H2,(H2,21,27)(H,22,23)/b24-19-.
What are the key properties of 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide?
4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[4-amino-3-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-ylidene]amino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 17037536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).