1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea

C10H13N5OS — CID 47253363

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)Nc1nccs1
InChIInChI=1S/C10H13N5OS/c1-8(6-15-4-2-11-7-15)13-9(16)14-10-12-3-5-17-10/h2-5,7-8H,6H2,1H3,(H2,12,13,14,16)
InChIKeyVTBVCMDIQSJUNA-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.55
Rot. Bonds4

About 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea

1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 47253363) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID47253363
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)Nc1nccs1
InChIInChI=1S/C10H13N5OS/c1-8(6-15-4-2-11-7-15)13-9(16)14-10-12-3-5-17-10/h2-5,7-8H,6H2,1H3,(H2,12,13,14,16)
InChIKeyVTBVCMDIQSJUNA-UHFFFAOYSA-N
XLogP1.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Imidazol-1-ylpropyl)-3-thiazol-2-yl-thiourea
CID 3003033
N-(2-imidazol-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 45830080
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53568872
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 71869888
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71925639
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 686016
1-(2-Imidazol-1-ylcyclopentyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 71980952
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95612447
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 96112232
(1S)-N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 97879103
1-tert-butyl-3-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]urea
CID 99874683
2-imidazol-1-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 100056707

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea (CID 47253363) is 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea is CC(Cn1ccnc1)NC(=O)Nc1nccs1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is VTBVCMDIQSJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-8(6-15-4-2-11-7-15)13-9(16)14-10-12-3-5-17-10/h2-5,7-8H,6H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 251.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47253363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).