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

C17H15ClN4OS — CID 110317792

IUPAC1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4OS/c18-13-2-1-3-14(10-13)21-17(23)20-9-6-16-22-15(11-24-16)12-4-7-19-8-5-12/h1-5,7-8,10-11H,6,9H2,(H2,20,21,23)
InChIKeyUPMMLRCELKNNBB-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.22
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 110317792) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID110317792
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4OS/c18-13-2-1-3-14(10-13)21-17(23)20-9-6-16-22-15(11-24-16)12-4-7-19-8-5-12/h1-5,7-8,10-11H,6,9H2,(H2,20,21,23)
InChIKeyUPMMLRCELKNNBB-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

1-(3-chlorophenyl)-3-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 110393569
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
1-(3-chloro-4-methylphenyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
CID 56549783
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
2-[2-[(3-iodophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373706
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
2-[2-[(3-bromophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374282
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea (CID 110317792) is 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nc(-c2ccncc2)cs1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is UPMMLRCELKNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-13-2-1-3-14(10-13)21-17(23)20-9-6-16-22-15(11-24-16)12-4-7-19-8-5-12/h1-5,7-8,10-11H,6,9H2,(H2,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-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-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 110317792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).