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

C14H18N4OS — CID 61341076

IUPAC1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-15-10(2)11-4-6-12(7-5-11)17-13(19)18-14-16-8-9-20-14/h4-10,15H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyBGPPSLDCASYCMJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.46
Rot. Bonds5

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

1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 61341076) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID61341076
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCCNC(C)c1ccc(NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-15-10(2)11-4-6-12(7-5-11)17-13(19)18-14-16-8-9-20-14/h4-10,15H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyBGPPSLDCASYCMJ-UHFFFAOYSA-N
XLogP3.46
TPSA66.05 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 ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 61341658
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679
[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
CID 79047589
2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
CID 61188411
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340342
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94197374
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea (CID 61341076) is 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea is CCNC(C)c1ccc(NC(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is BGPPSLDCASYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-15-10(2)11-4-6-12(7-5-11)17-13(19)18-14-16-8-9-20-14/h4-10,15H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.46, 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-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 61341076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).