1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea

C10H15N3O2S — CID 108895174

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C10H15N3O2S/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyIPKDLVGRIPCUIA-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.86
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea (PubChem CID 108895174) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea
PubChem CID108895174
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C10H15N3O2S/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyIPKDLVGRIPCUIA-UHFFFAOYSA-N
XLogP1.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4,4-dimethylhexanoic acid
CID 65287206
1-(cyanomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108864824
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid
CID 106109875
4-bromo-N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 51151058
2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid
CID 65223400
1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108897956
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 62048897
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801430
N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 55136363

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea (CID 108895174) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea is CC(=O)CCNC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea?
The InChIKey is IPKDLVGRIPCUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h4-5H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea has a molecular weight of 241.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea is sourced from PubChem (CID 108895174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).