N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C12H13N5O2S — CID 1249466

IUPACN-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(O)c1)NC1CC1
InChIInChI=1S/C12H13N5O2S/c18-10-3-1-2-9(6-10)17-12(14-15-16-17)20-7-11(19)13-8-4-5-8/h1-3,6,8,18H,4-5,7H2,(H,13,19)
InChIKeyJODQKERJFRDWPV-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.74
Rot. Bonds5

About N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1249466) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1249466
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(O)c1)NC1CC1
InChIInChI=1S/C12H13N5O2S/c18-10-3-1-2-9(6-10)17-12(14-15-16-17)20-7-11(19)13-8-4-5-8/h1-3,6,8,18H,4-5,7H2,(H,13,19)
InChIKeyJODQKERJFRDWPV-UHFFFAOYSA-N
XLogP0.74
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
CID 24819888
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
N-Cyclohexyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859381
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2596136
m-(5-(Methylthio)-1H-tetrazol-1-yl)phenol
CID 713737
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-(3-methoxy-phenyl)-acetamide
CID 654803
N-Cyclopentyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859382
2-[(1-allyl-1H-tetrazol-5-yl)thio]-N-(3-methoxyphenyl)acetamide
CID 1300331
2-[1-(3-Hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 713732
N-(3-Hydroxy-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1073203
Cambridge id 5968107
CID 773316

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1249466) is N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(O)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JODQKERJFRDWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-10-3-1-2-9(6-10)17-12(14-15-16-17)20-7-11(19)13-8-4-5-8/h1-3,6,8,18H,4-5,7H2,(H,13,19).
What are the key properties of N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 291.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1249466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).