1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea

C14H17N3OS — CID 90626941

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
SMILESCc1nc(-c2ccccc2NC(=O)NC(C)C)cs1
InChIInChI=1S/C14H17N3OS/c1-9(2)15-14(18)17-12-7-5-4-6-11(12)13-8-19-10(3)16-13/h4-9H,1-3H3,(H2,15,17,18)
InChIKeyRUOKLSOONQBURF-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.65
Rot. Bonds3

About 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea

1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea (PubChem CID 90626941) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
PubChem CID90626941
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
SMILESCc1nc(-c2ccccc2NC(=O)NC(C)C)cs1
InChIInChI=1S/C14H17N3OS/c1-9(2)15-14(18)17-12-7-5-4-6-11(12)13-8-19-10(3)16-13/h4-9H,1-3H3,(H2,15,17,18)
InChIKeyRUOKLSOONQBURF-UHFFFAOYSA-N
XLogP3.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 119050634
1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 124888592
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 169357373
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 90626205
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea (CID 90626941) is 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea is Cc1nc(-c2ccccc2NC(=O)NC(C)C)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is RUOKLSOONQBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)15-14(18)17-12-7-5-4-6-11(12)13-8-19-10(3)16-13/h4-9H,1-3H3,(H2,15,17,18).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea?
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 275.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 90626941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).