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

C12H19N3OS — CID 110747823

IUPAC1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
SMILESCc1nc(CN(C(=O)NC(C)C)C2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(2)13-12(16)15(11-4-5-11)6-10-7-17-9(3)14-10/h7-8,11H,4-6H2,1-3H3,(H,13,16)
InChIKeyWDLVWMCUEZJSSN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.53
Rot. Bonds4

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

1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea (PubChem CID 110747823) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
PubChem CID110747823
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
SMILESCc1nc(CN(C(=O)NC(C)C)C2CC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(2)13-12(16)15(11-4-5-11)6-10-7-17-9(3)14-10/h7-8,11H,4-6H2,1-3H3,(H,13,16)
InChIKeyWDLVWMCUEZJSSN-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 110747826
2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-hydroxybutanamide
CID 118934421
methyl (2S)-2-[[cyclopropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoate
CID 10663834
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 110718285
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94181824
2-[cyclopropanecarbonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-3-methylbutanoic acid
CID 166279160
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea (CID 110747823) is 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea is Cc1nc(CN(C(=O)NC(C)C)C2CC2)cs1.
What is the InChIKey of 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
The InChIKey is WDLVWMCUEZJSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)13-12(16)15(11-4-5-11)6-10-7-17-9(3)14-10/h7-8,11H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea?
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea has a molecular weight of 253.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110747823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).