2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide

C16H17N5O2S — CID 154750390

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1-c1csc(NC(=O)Cn2cc(C(C)O)nn2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-5-3-4-6-12(10)14-9-24-16(17-14)18-15(23)8-21-7-13(11(2)22)19-20-21/h3-7,9,11,22H,8H2,1-2H3,(H,17,18,23)
InChIKeyRSIQYGTVABAYBG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 154750390) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID154750390
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1-c1csc(NC(=O)Cn2cc(C(C)O)nn2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-5-3-4-6-12(10)14-9-24-16(17-14)18-15(23)8-21-7-13(11(2)22)19-20-21/h3-7,9,11,22H,8H2,1-2H3,(H,17,18,23)
InChIKeyRSIQYGTVABAYBG-UHFFFAOYSA-N
XLogP2.40
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 80742702
N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80735512
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55673240
2-(2-methoxyethylamino)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119711421
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
2-(4-fluorophenyl)sulfanyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39804824
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409
3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2-(4-cyano-5-methyl-1,2-oxazol-3-yl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 122136210
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119711400

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 154750390) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccccc1-c1csc(NC(=O)Cn2cc(C(C)O)nn2)n1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RSIQYGTVABAYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-5-3-4-6-12(10)14-9-24-16(17-14)18-15(23)8-21-7-13(11(2)22)19-20-21/h3-7,9,11,22H,8H2,1-2H3,(H,17,18,23).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154750390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).