1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea

C13H15N3OS — CID 47103579

IUPAC1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H15N3OS/c1-2-7-15-13(17)16-11-5-3-10(4-6-11)12-14-8-9-18-12/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17)
InChIKeyZXNIGJXQDBEBAK-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.34
Rot. Bonds4

About 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea

1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 47103579) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID47103579
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCCCNC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H15N3OS/c1-2-7-15-13(17)16-11-5-3-10(4-6-11)12-14-8-9-18-12/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17)
InChIKeyZXNIGJXQDBEBAK-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111754482
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea (CID 47103579) is 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea is CCCNC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is ZXNIGJXQDBEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-7-15-13(17)16-11-5-3-10(4-6-11)12-14-8-9-18-12/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17).
What are the key properties of 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 261.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 47103579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).