2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide

C14H15N7O2S2 — CID 131939802

IUPAC2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1nnc(SCCCNC(=O)c2ccc(-n3cnnn3)cc2O)s1
InChIInChI=1S/C14H15N7O2S2/c1-9-17-18-14(25-9)24-6-2-5-15-13(23)11-4-3-10(7-12(11)22)21-8-16-19-20-21/h3-4,7-8,22H,2,5-6H2,1H3,(H,15,23)
InChIKeyWSCVCATVXNTLBJ-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.44
Rot. Bonds7

About 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide

2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 131939802) has the molecular formula C14H15N7O2S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide
PubChem CID131939802
Molecular FormulaC14H15N7O2S2
Molecular Weight377.46 g/mol
Exact Mass377.07
IUPAC Name2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1nnc(SCCCNC(=O)c2ccc(-n3cnnn3)cc2O)s1
InChIInChI=1S/C14H15N7O2S2/c1-9-17-18-14(25-9)24-6-2-5-15-13(23)11-4-3-10(7-12(11)22)21-8-16-19-20-21/h3-4,7-8,22H,2,5-6H2,1H3,(H,15,23)
InChIKeyWSCVCATVXNTLBJ-UHFFFAOYSA-N
XLogP1.44
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74250558
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxochromene-3-carboxamide
CID 46993886
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
(2S)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrazol-1-ylpropanamide
CID 126433936
4-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1H-pyrrole-2-carboxamide
CID 77084955
2-anilino-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidine-5-carboxamide
CID 74240978
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72913970
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
2-hydroxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-(tetrazol-1-yl)benzamide
CID 131909234
2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 56902749
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 77081831

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide (CID 131939802) is 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide is Cc1nnc(SCCCNC(=O)c2ccc(-n3cnnn3)cc2O)s1.
What is the InChIKey of 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is WSCVCATVXNTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S2/c1-9-17-18-14(25-9)24-6-2-5-15-13(23)11-4-3-10(7-12(11)22)21-8-16-19-20-21/h3-4,7-8,22H,2,5-6H2,1H3,(H,15,23).
What are the key properties of 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide?
2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 377.46 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 131939802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).