[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea

C14H18N4OS — CID 103786277

IUPAC[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
SMILESCc1cnc(CNC(C)c2ccc(NC(N)=O)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-9-7-17-13(20-9)8-16-10(2)11-3-5-12(6-4-11)18-14(15)19/h3-7,10,16H,8H2,1-2H3,(H3,15,18,19)
InChIKeyVIBCDNURCKFBKZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.79
Rot. Bonds5

About [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea

[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea (PubChem CID 103786277) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
PubChem CID103786277
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
SMILESCc1cnc(CNC(C)c2ccc(NC(N)=O)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-9-7-17-13(20-9)8-16-10(2)11-3-5-12(6-4-11)18-14(15)19/h3-7,10,16H,8H2,1-2H3,(H3,15,18,19)
InChIKeyVIBCDNURCKFBKZ-UHFFFAOYSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 65246401
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
CID 75424353
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]phenyl]urea
CID 43750027
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786274
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
[4-[1-[(2-bromophenyl)methylamino]ethyl]phenyl]urea
CID 43750000

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea (CID 103786277) is [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea is Cc1cnc(CNC(C)c2ccc(NC(N)=O)cc2)s1.
What is the InChIKey of [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea?
The InChIKey is VIBCDNURCKFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-7-17-13(20-9)8-16-10(2)11-3-5-12(6-4-11)18-14(15)19/h3-7,10,16H,8H2,1-2H3,(H3,15,18,19).
What are the key properties of [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea?
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea is sourced from PubChem (CID 103786277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).