1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea

C15H16FN3OS — CID 178134797

IUPAC1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea
SMILESC[C@H](NC(=O)Nc1csc(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C15H16FN3OS/c1-9(10-2-3-10)17-15(20)19-13-8-21-14(18-13)11-4-6-12(16)7-5-11/h4-10H,2-3H2,1H3,(H2,17,19,20)/t9-/m0/s1
InChIKeyNRIDPDLRGDSLGB-VIFPVBQESA-N
MW305.38 g/mol
LogP3.87
Rot. Bonds4

About 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea

1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea (PubChem CID 178134797) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea
PubChem CID178134797
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea
SMILESC[C@H](NC(=O)Nc1csc(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C15H16FN3OS/c1-9(10-2-3-10)17-15(20)19-13-8-21-14(18-13)11-4-6-12(16)7-5-11/h4-10H,2-3H2,1H3,(H2,17,19,20)/t9-/m0/s1
InChIKeyNRIDPDLRGDSLGB-VIFPVBQESA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Diethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 84239280
1-[2-(2-Phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 84516254
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpiperidine-1-carboxamide
CID 137653893
(2R,6S)-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 137656430
3-[2-[2-(2,4-Difluorophenyl)-1,3-thiazol-4-yl]ethyl]-1,1-diethylurea
CID 162657255
1-Methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea
CID 162671145
1-Cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 711088
N-[[3-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9882894
N-[[3-[2-[(N'-ethylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10852973
3-[2-(2-Phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea
CID 162652066
1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea
CID 164622256
N-(4-(4-fluorophenyl)thiazol-2-yl)-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)acetamide
CID 2158829

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea (CID 178134797) is 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea is C[C@H](NC(=O)Nc1csc(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea?
The InChIKey is NRIDPDLRGDSLGB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-9(10-2-3-10)17-15(20)19-13-8-21-14(18-13)11-4-6-12(16)7-5-11/h4-10H,2-3H2,1H3,(H2,17,19,20)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea?
1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]urea is sourced from PubChem (CID 178134797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).