1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea

C14H18N4OS — CID 43790812

IUPAC1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC(C)c2scnc2C)cc1
InChIInChI=1S/C14H18N4OS/c1-9-13(20-8-16-9)10(2)17-11-4-6-12(7-5-11)18-14(19)15-3/h4-8,10,17H,1-3H3,(H2,15,18,19)
InChIKeyKHWVAICHRPJGSC-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.38
Rot. Bonds4

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

1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea (PubChem CID 43790812) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
PubChem CID43790812
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC(C)c2scnc2C)cc1
InChIInChI=1S/C14H18N4OS/c1-9-13(20-8-16-9)10(2)17-11-4-6-12(7-5-11)18-14(19)15-3/h4-8,10,17H,1-3H3,(H2,15,18,19)
InChIKeyKHWVAICHRPJGSC-UHFFFAOYSA-N
XLogP3.38
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-nitroaniline
CID 43785848
N-cyclopropyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43781900
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
CID 43792044
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43786006
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43788715
N,4-dimethyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43787391
4-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-nitroaniline
CID 43785547
1-methyl-3-[4-(4-methylpentan-2-ylamino)phenyl]urea
CID 43744400

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea (CID 43790812) is 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea is CNC(=O)Nc1ccc(NC(C)c2scnc2C)cc1.
What is the InChIKey of 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea?
The InChIKey is KHWVAICHRPJGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-13(20-8-16-9)10(2)17-11-4-6-12(7-5-11)18-14(19)15-3/h4-8,10,17H,1-3H3,(H2,15,18,19).
What are the key properties of 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea?
1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea has a molecular weight of 290.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea is sourced from PubChem (CID 43790812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).