[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea

C12H14N4OS — CID 79047589

IUPAC[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
SMILESCC(Nc1nccs1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H14N4OS/c1-8(15-12-14-6-7-18-12)9-2-4-10(5-3-9)16-11(13)17/h2-8H,1H3,(H,14,15)(H3,13,16,17)
InChIKeyIQOLOPCGIRDGEH-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.81
Rot. Bonds4

About [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea

[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea (PubChem CID 79047589) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
PubChem CID79047589
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
SMILESCC(Nc1nccs1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C12H14N4OS/c1-8(15-12-14-6-7-18-12)9-2-4-10(5-3-9)16-11(13)17/h2-8H,1H3,(H,14,15)(H3,13,16,17)
InChIKeyIQOLOPCGIRDGEH-UHFFFAOYSA-N
XLogP2.81
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
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5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
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[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
1,3-thiazol-2-ylurea;hydrochloride
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1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169
[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
CID 43792044
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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea (CID 79047589) is [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea is CC(Nc1nccs1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea?
The InChIKey is IQOLOPCGIRDGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(15-12-14-6-7-18-12)9-2-4-10(5-3-9)16-11(13)17/h2-8H,1H3,(H,14,15)(H3,13,16,17).
What are the key properties of [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea?
[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea has a molecular weight of 262.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 79047589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).