1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C15H20N4OS — CID 61341658

IUPAC1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H20N4OS/c1-4-16-11(3)12-5-7-13(8-6-12)18-14(20)19-15-17-10(2)9-21-15/h5-9,11,16H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyYHYXHJYIQKJLIJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 61341658) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID61341658
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H20N4OS/c1-4-16-11(3)12-5-7-13(8-6-12)18-14(20)19-15-17-10(2)9-21-15/h5-9,11,16H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyYHYXHJYIQKJLIJ-UHFFFAOYSA-N
XLogP3.77
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 61195157
1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 63995785
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 61341658) is 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is CCNC(C)c1ccc(NC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is YHYXHJYIQKJLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-16-11(3)12-5-7-13(8-6-12)18-14(20)19-15-17-10(2)9-21-15/h5-9,11,16H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 61341658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).