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

C15H20N4OS — CID 43792044

IUPAC[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
SMILESCc1ncsc1C(C)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H20N4OS/c1-9(18-11(3)14-10(2)17-8-21-14)12-4-6-13(7-5-12)19-15(16)20/h4-9,11,18H,1-3H3,(H3,16,19,20)
InChIKeyMTPIXTJGJZNVQN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.35
Rot. Bonds5

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

[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea (PubChem CID 43792044) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
PubChem CID43792044
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
SMILESCc1ncsc1C(C)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H20N4OS/c1-9(18-11(3)14-10(2)17-8-21-14)12-4-6-13(7-5-12)19-15(16)20/h4-9,11,18H,1-3H3,(H3,16,19,20)
InChIKeyMTPIXTJGJZNVQN-UHFFFAOYSA-N
XLogP3.35
TPSA80.04 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 ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
1-(4-ethoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43788971
1-methyl-3-[4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 43790812
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424
[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
CID 79047589
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
CID 107648295
(1S)-1-(3-chlorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81366710

Frequently Asked Questions

What is the IUPAC name of [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea (CID 43792044) is [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea is Cc1ncsc1C(C)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea?
The InChIKey is MTPIXTJGJZNVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(18-11(3)14-10(2)17-8-21-14)12-4-6-13(7-5-12)19-15(16)20/h4-9,11,18H,1-3H3,(H3,16,19,20).
What are the key properties of [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea?
[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea is sourced from PubChem (CID 43792044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).