1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea

C20H21N5O5S2 — CID 87231327

IUPAC1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2ncc(S(=O)(=O)c3ncc[nH]3)s2)c(C(=O)C2CCCC2)c1
InChIInChI=1S/C20H21N5O5S2/c1-30-13-6-7-15(14(10-13)17(26)12-4-2-3-5-12)24-18(27)25-19-23-11-16(31-19)32(28,29)20-21-8-9-22-20/h6-12H,2-5H2,1H3,(H,21,22)(H2,23,24,25,27)
InChIKeyOMGJXJMJQRTVES-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.72
Rot. Bonds7

About 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea

1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea (PubChem CID 87231327) has the molecular formula C20H21N5O5S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea
PubChem CID87231327
Molecular FormulaC20H21N5O5S2
Molecular Weight475.55 g/mol
Exact Mass475.10
IUPAC Name1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2ncc(S(=O)(=O)c3ncc[nH]3)s2)c(C(=O)C2CCCC2)c1
InChIInChI=1S/C20H21N5O5S2/c1-30-13-6-7-15(14(10-13)17(26)12-4-2-3-5-12)24-18(27)25-19-23-11-16(31-19)32(28,29)20-21-8-9-22-20/h6-12H,2-5H2,1H3,(H,21,22)(H2,23,24,25,27)
InChIKeyOMGJXJMJQRTVES-UHFFFAOYSA-N
XLogP3.72
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]carbamoylamino]-5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazole-4-carboxylic acid
CID 87230293
1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]urea;1-[2-(cyclopentanecarbonyl)phenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]urea
CID 87417279
1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-fluorophenyl]urea
CID 87230419
1-[4-chloro-2-(cyclopentanecarbonyl)phenyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 87230265
1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[4-(methanesulfonamidomethyl)-5-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazol-2-yl]urea
CID 87231391
N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]oxamide
CID 87908296
1-[2-(cyclopentanecarbonyl)-4-pyridinyl]-3-(5-methylsulfonyl-1,3-thiazol-2-yl)urea
CID 87230281
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 87417578
methyl 3-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]propanoate
CID 59733051
1-[3-(cyclopentanecarbonyl)-4-pyridinyl]-3-[5-(1H-imidazol-2-ylsulfanyl)-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]urea
CID 87230451
1-[5-[(carbamoylamino)methyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
CID 87231040
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea (CID 87231327) is 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea is COc1ccc(NC(=O)Nc2ncc(S(=O)(=O)c3ncc[nH]3)s2)c(C(=O)C2CCCC2)c1.
What is the InChIKey of 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea?
The InChIKey is OMGJXJMJQRTVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S2/c1-30-13-6-7-15(14(10-13)17(26)12-4-2-3-5-12)24-18(27)25-19-23-11-16(31-19)32(28,29)20-21-8-9-22-20/h6-12H,2-5H2,1H3,(H,21,22)(H2,23,24,25,27).
What are the key properties of 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea?
1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea has a molecular weight of 475.55 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentanecarbonyl)-4-methoxyphenyl]-3-[5-(1H-imidazol-2-ylsulfonyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 87231327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).