4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine

C10H15N7S2 — CID 62188403

IUPAC4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N7S2/c1-2-5-11-9-8(12-16-19-9)6-18-10-13-14-15-17(10)7-3-4-7/h7,11H,2-6H2,1H3
InChIKeyITOCRVNGIPNOPI-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.97
Rot. Bonds7

About 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine

4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine (PubChem CID 62188403) has the molecular formula C10H15N7S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
PubChem CID62188403
Molecular FormulaC10H15N7S2
Molecular Weight297.41 g/mol
Exact Mass297.08
IUPAC Name4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N7S2/c1-2-5-11-9-8(12-16-19-9)6-18-10-13-14-15-17(10)7-3-4-7/h7,11H,2-6H2,1H3
InChIKeyITOCRVNGIPNOPI-UHFFFAOYSA-N
XLogP1.97
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine (CID 62188403) is 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CSc1nnnn1C1CC1.
What is the InChIKey of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The InChIKey is ITOCRVNGIPNOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S2/c1-2-5-11-9-8(12-16-19-9)6-18-10-13-14-15-17(10)7-3-4-7/h7,11H,2-6H2,1H3.
What are the key properties of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine has a molecular weight of 297.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62188403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).