[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea

C14H15ClN4O2S2 — CID 97249017

IUPAC[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H](NC(N)=O)C1
InChIInChI=1S/C14H15ClN4O2S2/c1-7-11(23-12(17-7)9-2-3-10(15)22-9)13(20)19-5-4-8(6-19)18-14(16)21/h2-3,8H,4-6H2,1H3,(H3,16,18,21)/t8-/m1/s1
InChIKeyQRJHZWOPDJKKQR-MRVPVSSYSA-N
MW370.89 g/mol
LogP2.72
Rot. Bonds3

About [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea

[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea (PubChem CID 97249017) has the molecular formula C14H15ClN4O2S2 and a molecular weight of 370.89 g/mol. Its IUPAC name is [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
PubChem CID97249017
Molecular FormulaC14H15ClN4O2S2
Molecular Weight370.89 g/mol
Exact Mass370.03
IUPAC Name[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H](NC(N)=O)C1
InChIInChI=1S/C14H15ClN4O2S2/c1-7-11(23-12(17-7)9-2-3-10(15)22-9)13(20)19-5-4-8(6-19)18-14(16)21/h2-3,8H,4-6H2,1H3,(H3,16,18,21)/t8-/m1/s1
InChIKeyQRJHZWOPDJKKQR-MRVPVSSYSA-N
XLogP2.72
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea with MolForge

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Related Compounds

[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622366
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
CID 119470707
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-cyclopentyl-3-oxopropanamide
CID 98475610
(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125152105
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
2-(5-chlorothiophen-2-yl)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 167810583
N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
CID 94796886
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541192
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]-1,3-thiazole-5-carboxamide
CID 164632096
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119624283

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea?
The IUPAC name of [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea (CID 97249017) is [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea?
The canonical SMILES for [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CC[C@@H](NC(N)=O)C1.
What is the InChIKey of [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea?
The InChIKey is QRJHZWOPDJKKQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S2/c1-7-11(23-12(17-7)9-2-3-10(15)22-9)13(20)19-5-4-8(6-19)18-14(16)21/h2-3,8H,4-6H2,1H3,(H3,16,18,21)/t8-/m1/s1.
What are the key properties of [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea?
[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea has a molecular weight of 370.89 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 97249017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).