[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea

C14H18N4OS — CID 66386169

IUPAC[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
SMILESCC(NCc1sccc1N)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H18N4OS/c1-9(17-8-13-12(15)6-7-20-13)10-2-4-11(5-3-10)18-14(16)19/h2-7,9,17H,8,15H2,1H3,(H3,16,18,19)
InChIKeyXODRFWKCVZHOIW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.67
Rot. Bonds5

About [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea

[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea (PubChem CID 66386169) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
PubChem CID66386169
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
SMILESCC(NCc1sccc1N)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H18N4OS/c1-9(17-8-13-12(15)6-7-20-13)10-2-4-11(5-3-10)18-14(16)19/h2-7,9,17H,8,15H2,1H3,(H3,16,18,19)
InChIKeyXODRFWKCVZHOIW-UHFFFAOYSA-N
XLogP2.67
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 66386535
[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 65246401
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
CID 103786277
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66386508
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000
[4-[1-(1H-pyrrol-2-ylmethylamino)ethyl]phenyl]urea
CID 62340246
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea (CID 66386169) is [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea is CC(NCc1sccc1N)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea?
The InChIKey is XODRFWKCVZHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(17-8-13-12(15)6-7-20-13)10-2-4-11(5-3-10)18-14(16)19/h2-7,9,17H,8,15H2,1H3,(H3,16,18,19).
What are the key properties of [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea?
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea is sourced from PubChem (CID 66386169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).