2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide

C21H15ClN4O2S — CID 16948837

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)Nc2cccc3ccccc23)cs1
InChIInChI=1S/C21H15ClN4O2S/c22-14-7-4-8-15(11-14)23-20(28)26-21-25-18(12-29-21)19(27)24-17-10-3-6-13-5-1-2-9-16(13)17/h1-12H,(H,24,27)(H2,23,25,26,28)
InChIKeyUJXRRZSVSHRXFQ-UHFFFAOYSA-N
MW422.90 g/mol
LogP5.85
Rot. Bonds4

About 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide

2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 16948837) has the molecular formula C21H15ClN4O2S and a molecular weight of 422.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
PubChem CID16948837
Molecular FormulaC21H15ClN4O2S
Molecular Weight422.90 g/mol
Exact Mass422.06
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)Nc2cccc3ccccc23)cs1
InChIInChI=1S/C21H15ClN4O2S/c22-14-7-4-8-15(11-14)23-20(28)26-21-25-18(12-29-21)19(27)24-17-10-3-6-13-5-1-2-9-16(13)17/h1-12H,(H,24,27)(H2,23,25,26,28)
InChIKeyUJXRRZSVSHRXFQ-UHFFFAOYSA-N
XLogP5.85
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948852
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367
2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948802
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16948876
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide (CID 16948837) is 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)Nc2cccc3ccccc23)cs1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UJXRRZSVSHRXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2S/c22-14-7-4-8-15(11-14)23-20(28)26-21-25-18(12-29-21)19(27)24-17-10-3-6-13-5-1-2-9-16(13)17/h1-12H,(H,24,27)(H2,23,25,26,28).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 422.90 g/mol, XLogP of 5.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).