5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine

C9H14N6S3 — CID 13138421

IUPAC5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1SCCCSCc1cnc(N)s1
InChIInChI=1S/C9H14N6S3/c1-15-9(12-13-14-15)17-4-2-3-16-6-7-5-11-8(10)18-7/h5H,2-4,6H2,1H3,(H2,10,11)
InChIKeyXQEUKIKTUZYQEY-UHFFFAOYSA-N
MW302.45 g/mol
LogP1.66
Rot. Bonds7

About 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine

5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 13138421) has the molecular formula C9H14N6S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID13138421
Molecular FormulaC9H14N6S3
Molecular Weight302.45 g/mol
Exact Mass302.04
IUPAC Name5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1SCCCSCc1cnc(N)s1
InChIInChI=1S/C9H14N6S3/c1-15-9(12-13-14-15)17-4-2-3-16-6-7-5-11-8(10)18-7/h5H,2-4,6H2,1H3,(H2,10,11)
InChIKeyXQEUKIKTUZYQEY-UHFFFAOYSA-N
XLogP1.66
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine (CID 13138421) is 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine is Cn1nnnc1SCCCSCc1cnc(N)s1.
What is the InChIKey of 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is XQEUKIKTUZYQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S3/c1-15-9(12-13-14-15)17-4-2-3-16-6-7-5-11-8(10)18-7/h5H,2-4,6H2,1H3,(H2,10,11).
What are the key properties of 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine?
5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 13138421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).