1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C16H17ClN4OS — CID 137362815

IUPAC1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCc2cn(C)c3cc(Cl)ccc23)s1
InChIInChI=1S/C16H17ClN4OS/c1-10-8-19-16(23-10)20-15(22)18-6-5-11-9-21(2)14-7-12(17)3-4-13(11)14/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,22)
InChIKeyYVRIZZKMLVPSKQ-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 137362815) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID137362815
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCc2cn(C)c3cc(Cl)ccc23)s1
InChIInChI=1S/C16H17ClN4OS/c1-10-8-19-16(23-10)20-15(22)18-6-5-11-9-21(2)14-7-12(17)3-4-13(11)14/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,22)
InChIKeyYVRIZZKMLVPSKQ-UHFFFAOYSA-N
XLogP3.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine
CID 122081906
2-(6-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 137363295
1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123542
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 46978356
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
CID 46971540
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 49195493
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 4844401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 137362815) is 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NCCc2cn(C)c3cc(Cl)ccc23)s1.
What is the InChIKey of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is YVRIZZKMLVPSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-10-8-19-16(23-10)20-15(22)18-6-5-11-9-21(2)14-7-12(17)3-4-13(11)14/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 348.86 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 137362815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).