1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea

C17H15ClN4OS — CID 110285049

IUPAC1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-c2ccncc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4OS/c18-13-1-3-14(4-2-13)22-17(23)20-10-7-15-11-24-16(21-15)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H2,20,22,23)
InChIKeyUFMDWCKXPLBIDN-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 110285049) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID110285049
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-c2ccncc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4OS/c18-13-1-3-14(4-2-13)22-17(23)20-10-7-15-11-24-16(21-15)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H2,20,22,23)
InChIKeyUFMDWCKXPLBIDN-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
methyl 4-[[2-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-2-oxoacetyl]amino]benzoate
CID 20965753
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea (CID 110285049) is 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(-c2ccncc2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is UFMDWCKXPLBIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-13-1-3-14(4-2-13)22-17(23)20-10-7-15-11-24-16(21-15)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H2,20,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 358.85 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 110285049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).