1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea

C15H18ClN3OS — CID 110446875

IUPAC1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESCC(C)c1csc(CCNC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN3OS/c1-10(2)13-9-21-14(19-13)6-7-17-15(20)18-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,18,20)
InChIKeyUHRTVLINMRIHDT-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.28
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 110446875) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID110446875
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESCC(C)c1csc(CCNC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN3OS/c1-10(2)13-9-21-14(19-13)6-7-17-15(20)18-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,18,20)
InChIKeyUHRTVLINMRIHDT-UHFFFAOYSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317792
1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 110393569
2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 54773872
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110439900
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 54773874
N-(4-chlorophenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110650032
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
2-[2-[(3-bromophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374282

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea (CID 110446875) is 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea is CC(C)c1csc(CCNC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is UHRTVLINMRIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-10(2)13-9-21-14(19-13)6-7-17-15(20)18-12-5-3-4-11(16)8-12/h3-5,8-10H,6-7H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 323.85 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 110446875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).