5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

C19H18ClN5O3S — CID 10365483

IUPAC5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C19H18ClN5O3S/c20-14-6-2-1-5-13(14)7-9-23-19(27)24-18-15(16(21)26)17(25-29-18)28-11-12-4-3-8-22-10-12/h1-6,8,10H,7,9,11H2,(H2,21,26)(H2,23,24,27)
InChIKeyOIJCHEZVBAHRJH-UHFFFAOYSA-N
MW431.91 g/mol
LogP3.23
Rot. Bonds8

About 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (PubChem CID 10365483) has the molecular formula C19H18ClN5O3S and a molecular weight of 431.91 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
PubChem CID10365483
Molecular FormulaC19H18ClN5O3S
Molecular Weight431.91 g/mol
Exact Mass431.08
IUPAC Name5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C19H18ClN5O3S/c20-14-6-2-1-5-13(14)7-9-23-19(27)24-18-15(16(21)26)17(25-29-18)28-11-12-4-3-8-22-10-12/h1-6,8,10H,7,9,11H2,(H2,21,26)(H2,23,24,27)
InChIKeyOIJCHEZVBAHRJH-UHFFFAOYSA-N
XLogP3.23
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 11740674
5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 66679258
5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10094351
3-[(2,5-dichlorophenyl)methoxy]-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54422898
5-[2-(butan-2-ylamino)ethylcarbamoylamino]-3-[[2-(fluoromethyl)phenyl]methoxy]-1,2-thiazole-4-carboxamide
CID 68507353
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108900277
5-[3-[bis(2-hydroxyethyl)amino]propylcarbamoylamino]-3-[(2,3-dichloro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide
CID 68509601
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[3-(pyridin-2-ylamino)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 54485579
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 75463707
3-[(2,3-difluoro-4-methylphenyl)methoxy]-5-(2-hydroxybutylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54031562

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (CID 10365483) is 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The InChIKey is OIJCHEZVBAHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3S/c20-14-6-2-1-5-13(14)7-9-23-19(27)24-18-15(16(21)26)17(25-29-18)28-11-12-4-3-8-22-10-12/h1-6,8,10H,7,9,11H2,(H2,21,26)(H2,23,24,27).
What are the key properties of 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide has a molecular weight of 431.91 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 10365483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).