1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea

C13H16N2OS2 — CID 129355017

IUPAC1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
SMILESCCCNC(=O)N[C@@H](c1ccsc1)c1cccs1
InChIInChI=1S/C13H16N2OS2/c1-2-6-14-13(16)15-12(10-5-8-17-9-10)11-4-3-7-18-11/h3-5,7-9,12H,2,6H2,1H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyREPZJKCVEKGFCC-LBPRGKRZSA-N
MW280.42 g/mol
LogP3.61
Rot. Bonds5

About 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea

1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea (PubChem CID 129355017) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea.

Molecular Properties

Compound Name1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
PubChem CID129355017
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
SMILESCCCNC(=O)N[C@@H](c1ccsc1)c1cccs1
InChIInChI=1S/C13H16N2OS2/c1-2-6-14-13(16)15-12(10-5-8-17-9-10)11-4-3-7-18-11/h3-5,7-9,12H,2,6H2,1H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyREPZJKCVEKGFCC-LBPRGKRZSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(3-hydroxybutyl)urea
CID 111337234
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide
CID 121021406
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
CID 9283722
4-oxo-4-(propylamino)-3-thiophen-2-ylbutanoic acid
CID 112515750
2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
CID 42954660

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea?
The IUPAC name of 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea (CID 129355017) is 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea.
What is the SMILES notation for 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea?
The canonical SMILES for 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea is CCCNC(=O)N[C@@H](c1ccsc1)c1cccs1.
What is the InChIKey of 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea?
The InChIKey is REPZJKCVEKGFCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-2-6-14-13(16)15-12(10-5-8-17-9-10)11-4-3-7-18-11/h3-5,7-9,12H,2,6H2,1H3,(H2,14,15,16)/t12-/m0/s1.
What are the key properties of 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea?
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea has a molecular weight of 280.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea is sourced from PubChem (CID 129355017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).