1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea

C15H19N3O2S — CID 97351472

IUPAC1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
SMILESCC[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C15H19N3O2S/c1-3-12(9-19)17-15(20)18-13-10(2)16-14(21-13)11-7-5-4-6-8-11/h4-8,12,19H,3,9H2,1-2H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyNYRYCPWFZZHSAN-LBPRGKRZSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea

1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea (PubChem CID 97351472) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
PubChem CID97351472
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
SMILESCC[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C15H19N3O2S/c1-3-12(9-19)17-15(20)18-13-10(2)16-14(21-13)11-7-5-4-6-8-11/h4-8,12,19H,3,9H2,1-2H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyNYRYCPWFZZHSAN-LBPRGKRZSA-N
XLogP3.01
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 53595211
1-[1-(4-Phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylurea
CID 56782742
1-Cyclopropyl-3-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 72113917
1-(2-Ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
CID 75477154
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75483806
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97259060
3-[(R)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 97332000
(2R)-2-(hydroxymethyl)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 97820536
1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea
CID 164629688
4-hydroxy-4-methyl-N-[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 164636323
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
CID 90166404
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[2-(hydroxymethyl)-4-phenyl-1,3-thiazol-5-yl]urea
CID 90166460

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea (CID 97351472) is 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea is CC[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C.
What is the InChIKey of 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
The InChIKey is NYRYCPWFZZHSAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12(9-19)17-15(20)18-13-10(2)16-14(21-13)11-7-5-4-6-8-11/h4-8,12,19H,3,9H2,1-2H3,(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea has a molecular weight of 305.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxybutan-2-yl]-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 97351472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).