2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole

C9H13N5S2 — CID 18708042

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCCCCn1nnnc1Sc1nc(C)cs1
InChIInChI=1S/C9H13N5S2/c1-3-4-5-14-8(11-12-13-14)16-9-10-7(2)6-15-9/h6H,3-5H2,1-2H3
InChIKeyUXCMZFRCALLSKW-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.39
Rot. Bonds5

About 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole

2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole (PubChem CID 18708042) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
PubChem CID18708042
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole
SMILESCCCCn1nnnc1Sc1nc(C)cs1
InChIInChI=1S/C9H13N5S2/c1-3-4-5-14-8(11-12-13-14)16-9-10-7(2)6-15-9/h6H,3-5H2,1-2H3
InChIKeyUXCMZFRCALLSKW-UHFFFAOYSA-N
XLogP2.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole (CID 18708042) is 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole is CCCCn1nnnc1Sc1nc(C)cs1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
The InChIKey is UXCMZFRCALLSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-3-4-5-14-8(11-12-13-14)16-9-10-7(2)6-15-9/h6H,3-5H2,1-2H3.
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole?
2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole has a molecular weight of 255.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 18708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).