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

C15H21N3OS2 — CID 97350993

IUPAC1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
SMILESC[C@H](CN(C)C(=O)NC[C@H](C)c1cccs1)c1nccs1
InChIInChI=1S/C15H21N3OS2/c1-11(13-5-4-7-20-13)9-17-15(19)18(3)10-12(2)14-16-6-8-21-14/h4-8,11-12H,9-10H2,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyLVGXIDFNMZOWIS-NWDGAFQWSA-N
MW323.49 g/mol
LogP3.75
Rot. Bonds6

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

1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea (PubChem CID 97350993) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
PubChem CID97350993
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
SMILESC[C@H](CN(C)C(=O)NC[C@H](C)c1cccs1)c1nccs1
InChIInChI=1S/C15H21N3OS2/c1-11(13-5-4-7-20-13)9-17-15(19)18(3)10-12(2)14-16-6-8-21-14/h4-8,11-12H,9-10H2,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyLVGXIDFNMZOWIS-NWDGAFQWSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600514
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CID 84600832
1-methyl-3-(thiadiazol-5-yl)-1-[2-(1,3-thiazol-2-yl)propyl]urea
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CID 120550709
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3-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 124615981
3-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99854195
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea (CID 97350993) is 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea is C[C@H](CN(C)C(=O)NC[C@H](C)c1cccs1)c1nccs1.
What is the InChIKey of 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
The InChIKey is LVGXIDFNMZOWIS-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-11(13-5-4-7-20-13)9-17-15(19)18(3)10-12(2)14-16-6-8-21-14/h4-8,11-12H,9-10H2,1-3H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea?
1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea has a molecular weight of 323.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 97350993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).