2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C16H16N6OS2 — CID 47942946

IUPAC2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CSc2nnnn2C2CC2)cs1)Nc1ccccc1
InChIInChI=1S/C16H16N6OS2/c23-14(17-11-4-2-1-3-5-11)8-15-18-12(9-24-15)10-25-16-19-20-21-22(16)13-6-7-13/h1-5,9,13H,6-8,10H2,(H,17,23)
InChIKeyYFFGEWRRCAHCJU-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.94
Rot. Bonds7

About 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 47942946) has the molecular formula C16H16N6OS2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID47942946
Molecular FormulaC16H16N6OS2
Molecular Weight372.48 g/mol
Exact Mass372.08
IUPAC Name2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CSc2nnnn2C2CC2)cs1)Nc1ccccc1
InChIInChI=1S/C16H16N6OS2/c23-14(17-11-4-2-1-3-5-11)8-15-18-12(9-24-15)10-25-16-19-20-21-22(16)13-6-7-13/h1-5,9,13H,6-8,10H2,(H,17,23)
InChIKeyYFFGEWRRCAHCJU-UHFFFAOYSA-N
XLogP2.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942617
2-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 25482594
2-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942202
2-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 30056358
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55536860
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,2-diphenylacetamide
CID 55779290
2-[4-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 52756425
2-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 112784143
2-[4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2662711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 47942946) is 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(CSc2nnnn2C2CC2)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is YFFGEWRRCAHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS2/c23-14(17-11-4-2-1-3-5-11)8-15-18-12(9-24-15)10-25-16-19-20-21-22(16)13-6-7-13/h1-5,9,13H,6-8,10H2,(H,17,23).
What are the key properties of 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 372.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 47942946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).