1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

C18H20ClN5O3S — CID 41211525

IUPAC1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C18H20ClN5O3S/c19-12-2-1-3-13(8-12)21-17(27)23-18-22-14(10-28-18)9-15(25)24-6-4-11(5-7-24)16(20)26/h1-3,8,10-11H,4-7,9H2,(H2,20,26)(H2,21,22,23,27)
InChIKeyDXJAUUFTRZGBNU-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 41211525) has the molecular formula C18H20ClN5O3S and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID41211525
Molecular FormulaC18H20ClN5O3S
Molecular Weight421.91 g/mol
Exact Mass421.10
IUPAC Name1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C18H20ClN5O3S/c19-12-2-1-3-13(8-12)21-17(27)23-18-22-14(10-28-18)9-15(25)24-6-4-11(5-7-24)16(20)26/h1-3,8,10-11H,4-7,9H2,(H2,20,26)(H2,21,22,23,27)
InChIKeyDXJAUUFTRZGBNU-UHFFFAOYSA-N
XLogP2.71
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567612
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985
methyl 1-[2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 41158688
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159437
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone
CID 30941883
ethyl 4-[2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 27377984
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 27546008
N-(3-chlorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxamide
CID 110368033
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (CID 41211525) is 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is DXJAUUFTRZGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3S/c19-12-2-1-3-13(8-12)21-17(27)23-18-22-14(10-28-18)9-15(25)24-6-4-11(5-7-24)16(20)26/h1-3,8,10-11H,4-7,9H2,(H2,20,26)(H2,21,22,23,27).
What are the key properties of 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 41211525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).