N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide

C8H9N5OS — CID 78954440

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCc1cscn1)c1cn[nH]n1
InChIInChI=1S/C8H9N5OS/c14-8(7-3-11-13-12-7)9-2-1-6-4-15-5-10-6/h3-5H,1-2H2,(H,9,14)(H,11,12,13)
InChIKeyVMINDNYKYSUZAP-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.23
Rot. Bonds4

About N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide

N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 78954440) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID78954440
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCc1cscn1)c1cn[nH]n1
InChIInChI=1S/C8H9N5OS/c14-8(7-3-11-13-12-7)9-2-1-6-4-15-5-10-6/h3-5H,1-2H2,(H,9,14)(H,11,12,13)
InChIKeyVMINDNYKYSUZAP-UHFFFAOYSA-N
XLogP0.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 78969850
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
5-bromo-6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 71873278
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63826133
4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 77078608
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
4-amino-1-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 63829490

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide (CID 78954440) is N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide is O=C(NCCc1cscn1)c1cn[nH]n1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is VMINDNYKYSUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c14-8(7-3-11-13-12-7)9-2-1-6-4-15-5-10-6/h3-5H,1-2H2,(H,9,14)(H,11,12,13).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78954440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).