N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C16H21N3O2S — CID 110002106

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H21N3O2S/c1-3-16(2,7-9-20)19-14(21)10-12-11-22-15(18-12)13-6-4-5-8-17-13/h4-6,8,11,20H,3,7,9-10H2,1-2H3,(H,19,21)
InChIKeyZOYJKVUCZWMPAW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.41
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 110002106) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID110002106
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H21N3O2S/c1-3-16(2,7-9-20)19-14(21)10-12-11-22-15(18-12)13-6-4-5-8-17-13/h4-6,8,11,20H,3,7,9-10H2,1-2H3,(H,19,21)
InChIKeyZOYJKVUCZWMPAW-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Thiazoleacetic acid, 2-(2-pyridyl)-
CID 214802
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N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
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3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(pyridin-4-ylmethyl)propanamide
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N-[1-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
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CID 47043989
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CID 53535732
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-N-pyridin-4-ylpropanamide
CID 53596445
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide
CID 56789078
4-[[2-[2-(Pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetyl]amino]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 110002106) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZOYJKVUCZWMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-16(2,7-9-20)19-14(21)10-12-11-22-15(18-12)13-6-4-5-8-17-13/h4-6,8,11,20H,3,7,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110002106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).