1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea

C14H17N3OS — CID 47363759

IUPAC1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3OS/c1-11(2)17(10-12-6-4-3-5-7-12)14(18)16-13-15-8-9-19-13/h3-9,11H,10H2,1-2H3,(H,15,16,18)
InChIKeyTUEVPEDKIKCDFH-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.59
Rot. Bonds4

About 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea

1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea (PubChem CID 47363759) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
PubChem CID47363759
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3OS/c1-11(2)17(10-12-6-4-3-5-7-12)14(18)16-13-15-8-9-19-13/h3-9,11H,10H2,1-2H3,(H,15,16,18)
InChIKeyTUEVPEDKIKCDFH-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
(Z)-N-benzyl-2-cyano-N-propan-2-yl-3-(1,3-thiazol-2-ylamino)prop-2-enamide
CID 108829976
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-(3,5-dichlorophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014455
3-(4-bromophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90015026
chlorobenzene;1-ethyl-1-(2-methylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 174565601

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea (CID 47363759) is 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea is CC(C)N(Cc1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is TUEVPEDKIKCDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11(2)17(10-12-6-4-3-5-7-12)14(18)16-13-15-8-9-19-13/h3-9,11H,10H2,1-2H3,(H,15,16,18).
What are the key properties of 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea?
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 275.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).