N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C11H15N5OS2 — CID 32711288

IUPACN-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)NC(=O)CSc1nnnn1Cc1cccs1
InChIInChI=1S/C11H15N5OS2/c1-8(2)12-10(17)7-19-11-13-14-15-16(11)6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17)
InChIKeyWSTBFADONAJHOU-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.40
Rot. Bonds6

About N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 32711288) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID32711288
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC NameN-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)NC(=O)CSc1nnnn1Cc1cccs1
InChIInChI=1S/C11H15N5OS2/c1-8(2)12-10(17)7-19-11-13-14-15-16(11)6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17)
InChIKeyWSTBFADONAJHOU-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(propan-2-ylcarbamoyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987439
N-[(1R)-1-(furan-2-yl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41142596
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639659
N-(2-cyano-3-methylbutan-2-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244520
N-[(1S)-1-phenylethyl]-2-[[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 41201832
N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244515
N-(1-cyanocyclopentyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987770
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873
4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 46639713
N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
CID 36987490
N-[(3,4-dimethylphenyl)carbamoyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 24522419
N-[(3-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244560

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 32711288) is N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is CC(C)NC(=O)CSc1nnnn1Cc1cccs1.
What is the InChIKey of N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is WSTBFADONAJHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-8(2)12-10(17)7-19-11-13-14-15-16(11)6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17).
What are the key properties of N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 297.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 32711288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).