N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

C15H13N5O2S — CID 56827510

IUPACN-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESC#CCN(Cc1ccco1)C(=O)Cc1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C15H13N5O2S/c1-2-5-20(8-12-4-3-6-22-12)13(21)7-11-9-23-15(18-11)14-16-10-17-19-14/h1,3-4,6,9-10H,5,7-8H2,(H,16,17,19)
InChIKeyWUKNEELLVISQSP-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 56827510) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID56827510
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESC#CCN(Cc1ccco1)C(=O)Cc1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C15H13N5O2S/c1-2-5-20(8-12-4-3-6-22-12)13(21)7-11-9-23-15(18-11)14-16-10-17-19-14/h1,3-4,6,9-10H,5,7-8H2,(H,16,17,19)
InChIKeyWUKNEELLVISQSP-UHFFFAOYSA-N
XLogP1.73
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51087932
N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylacetamide
CID 50948449
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18098369
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625
tert-butyl N-(furan-2-ylmethyl)-N-prop-2-ynylcarbamate
CID 10966474
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 95628259
N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 126795447
2-[prop-2-ynyl-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 79271382
N-benzyl-N-(furan-2-ylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 37428292
N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 56784265
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide
CID 48523916
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 95338902

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (CID 56827510) is N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is C#CCN(Cc1ccco1)C(=O)Cc1csc(-c2ncn[nH]2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WUKNEELLVISQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-2-5-20(8-12-4-3-6-22-12)13(21)7-11-9-23-15(18-11)14-16-10-17-19-14/h1,3-4,6,9-10H,5,7-8H2,(H,16,17,19).
What are the key properties of N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 327.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-prop-2-ynyl-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 56827510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).