N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

C14H15N5O2S2 — CID 111452172

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncn[nH]2)sc1C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C14H15N5O2S2/c1-8-10(23-13(18-8)11-16-7-17-19-11)12(20)15-6-14(2,21)9-3-4-22-5-9/h3-5,7,21H,6H2,1-2H3,(H,15,20)(H,16,17,19)
InChIKeyUXFCMKQYCSIMMZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.94
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 111452172) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID111452172
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncn[nH]2)sc1C(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C14H15N5O2S2/c1-8-10(23-13(18-8)11-16-7-17-19-11)12(20)15-6-14(2,21)9-3-4-22-5-9/h3-5,7,21H,6H2,1-2H3,(H,15,20)(H,16,17,19)
InChIKeyUXFCMKQYCSIMMZ-UHFFFAOYSA-N
XLogP1.94
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 56784837
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451685
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111451693
5-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-1H-pyrazole-3-carboxamide
CID 111452029
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (CID 111452172) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncn[nH]2)sc1C(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UXFCMKQYCSIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-8-10(23-13(18-8)11-16-7-17-19-11)12(20)15-6-14(2,21)9-3-4-22-5-9/h3-5,7,21H,6H2,1-2H3,(H,15,20)(H,16,17,19).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111452172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).