N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide

C9H11N5O2S — CID 112735662

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
SMILESCC(O)c1csc(NC(=O)c2cnn(C)n2)n1
InChIInChI=1S/C9H11N5O2S/c1-5(15)7-4-17-9(11-7)12-8(16)6-3-10-14(2)13-6/h3-5,15H,1-2H3,(H,11,12,16)
InChIKeyGDTGBKXAWYOJCD-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.58
Rot. Bonds3

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide (PubChem CID 112735662) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
PubChem CID112735662
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
SMILESCC(O)c1csc(NC(=O)c2cnn(C)n2)n1
InChIInChI=1S/C9H11N5O2S/c1-5(15)7-4-17-9(11-7)12-8(16)6-3-10-14(2)13-6/h3-5,15H,1-2H3,(H,11,12,16)
InChIKeyGDTGBKXAWYOJCD-UHFFFAOYSA-N
XLogP0.58
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
CID 106753495
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
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N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-hydroxy-2-methyltriazole-4-carboxamide
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2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
CID 110691520
1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 107497913
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-propan-2-yloxyacetamide
CID 112603240
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
2,3-dimethyl-1-(2-methyltriazol-4-yl)butan-1-one
CID 130603531
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide (CID 112735662) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide is CC(O)c1csc(NC(=O)c2cnn(C)n2)n1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
The InChIKey is GDTGBKXAWYOJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-5(15)7-4-17-9(11-7)12-8(16)6-3-10-14(2)13-6/h3-5,15H,1-2H3,(H,11,12,16).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide has a molecular weight of 253.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 112735662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).