N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

C14H21N7OS2 — CID 55953871

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1
InChIInChI=1S/C14H21N7OS2/c1-14(2,3)11-16-17-12(24-11)15-10(22)8-23-13-18-19-20-21(13)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,17,22)
InChIKeyBWPHCMVYCMBAEF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.67
Rot. Bonds5

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 55953871) has the molecular formula C14H21N7OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID55953871
Molecular FormulaC14H21N7OS2
Molecular Weight367.50 g/mol
Exact Mass367.12
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1
InChIInChI=1S/C14H21N7OS2/c1-14(2,3)11-16-17-12(24-11)15-10(22)8-23-13-18-19-20-21(13)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,17,22)
InChIKeyBWPHCMVYCMBAEF-UHFFFAOYSA-N
XLogP2.67
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78866515
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 644723
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52973004
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 55953871) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is CC(C)(C)c1nnc(NC(=O)CSc2nnnn2C2CCCC2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BWPHCMVYCMBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS2/c1-14(2,3)11-16-17-12(24-11)15-10(22)8-23-13-18-19-20-21(13)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,17,22).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 367.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 55953871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).