1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea

C15H21N3OS2 — CID 96520322

IUPAC1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
SMILESCC[C@@H](NC(=O)N(C)CCc1cccs1)c1nc(C)cs1
InChIInChI=1S/C15H21N3OS2/c1-4-13(14-16-11(2)10-21-14)17-15(19)18(3)8-7-12-6-5-9-20-12/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyVYUSUOOTGQWYJI-CYBMUJFWSA-N
MW323.49 g/mol
LogP3.85
Rot. Bonds6

About 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea

1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea (PubChem CID 96520322) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
PubChem CID96520322
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
SMILESCC[C@@H](NC(=O)N(C)CCc1cccs1)c1nc(C)cs1
InChIInChI=1S/C15H21N3OS2/c1-4-13(14-16-11(2)10-21-14)17-15(19)18(3)8-7-12-6-5-9-20-12/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyVYUSUOOTGQWYJI-CYBMUJFWSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea with MolForge

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Related Compounds

(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110012374
(2S)-3-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487158
(2R)-4-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005739
4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 79487438
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
CID 79487982
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
4-methylsulfanyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79487537
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea (CID 96520322) is 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea is CC[C@@H](NC(=O)N(C)CCc1cccs1)c1nc(C)cs1.
What is the InChIKey of 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea?
The InChIKey is VYUSUOOTGQWYJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-4-13(14-16-11(2)10-21-14)17-15(19)18(3)8-7-12-6-5-9-20-12/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea?
1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea has a molecular weight of 323.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 96520322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).