3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

C18H16ClN3O2S — CID 108811093

IUPAC3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)24-10-7-17(23)21-11-14-12-25-18(22-14)13-5-8-20-9-6-13/h1-6,8-9,12H,7,10-11H2,(H,21,23)
InChIKeyNKVUAUVXMACCRM-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.94
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 108811093) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID108811093
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)24-10-7-17(23)21-11-14-12-25-18(22-14)13-5-8-20-9-6-13/h1-6,8-9,12H,7,10-11H2,(H,21,23)
InChIKeyNKVUAUVXMACCRM-UHFFFAOYSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108802336
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242
4-(4-bromo-2-chlorophenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108770983
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
4-(4-methoxyphenyl)-4-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108749253
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108771045
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 108811093) is 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCOc1ccccc1Cl)NCc1csc(-c2ccncc2)n1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is NKVUAUVXMACCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)24-10-7-17(23)21-11-14-12-25-18(22-14)13-5-8-20-9-6-13/h1-6,8-9,12H,7,10-11H2,(H,21,23).
What are the key properties of 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 373.87 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 108811093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).