(4-chloro-3-methyl-1,2-thiazol-5-yl)urea

C5H6ClN3OS — CID 130775691

IUPAC(4-chloro-3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1nsc(NC(N)=O)c1Cl
InChIInChI=1S/C5H6ClN3OS/c1-2-3(6)4(11-9-2)8-5(7)10/h1H3,(H3,7,8,10)
InChIKeyRUBAGHPOSXUXJE-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.60
Rot. Bonds1

About (4-chloro-3-methyl-1,2-thiazol-5-yl)urea

(4-chloro-3-methyl-1,2-thiazol-5-yl)urea (PubChem CID 130775691) has the molecular formula C5H6ClN3OS and a molecular weight of 191.64 g/mol. Its IUPAC name is (4-chloro-3-methyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name(4-chloro-3-methyl-1,2-thiazol-5-yl)urea
PubChem CID130775691
Molecular FormulaC5H6ClN3OS
Molecular Weight191.64 g/mol
Exact Mass190.99
IUPAC Name(4-chloro-3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1nsc(NC(N)=O)c1Cl
InChIInChI=1S/C5H6ClN3OS/c1-2-3(6)4(11-9-2)8-5(7)10/h1H3,(H3,7,8,10)
InChIKeyRUBAGHPOSXUXJE-UHFFFAOYSA-N
XLogP1.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide
CID 70273771
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]acetamide
CID 21347878
N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide
CID 57082334
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878
propan-2-yl N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]carbamate
CID 15405404
3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
CID 54757315
5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide
CID 134119367
methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate
CID 82506211
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylpropyl)quinoxalin-6-yl]-2-fluoroacetamide
CID 70251047
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2,2-trifluoroethyl)-1,3-benzoxazol-5-yl]propanamide
CID 22742111
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate
CID 172584056

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-1,2-thiazol-5-yl)urea?
The IUPAC name of (4-chloro-3-methyl-1,2-thiazol-5-yl)urea (CID 130775691) is (4-chloro-3-methyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for (4-chloro-3-methyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for (4-chloro-3-methyl-1,2-thiazol-5-yl)urea is Cc1nsc(NC(N)=O)c1Cl.
What is the InChIKey of (4-chloro-3-methyl-1,2-thiazol-5-yl)urea?
The InChIKey is RUBAGHPOSXUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3OS/c1-2-3(6)4(11-9-2)8-5(7)10/h1H3,(H3,7,8,10).
What are the key properties of (4-chloro-3-methyl-1,2-thiazol-5-yl)urea?
(4-chloro-3-methyl-1,2-thiazol-5-yl)urea has a molecular weight of 191.64 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 130775691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).