N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C8H12N6S2 — CID 79774889

IUPACN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnnn2C)s1
InChIInChI=1S/C8H12N6S2/c1-3-9-7-10-4-6(16-7)5-15-8-11-12-13-14(8)2/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyORHNAOYBSYPUOB-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.39
Rot. Bonds5

About N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 79774889) has the molecular formula C8H12N6S2 and a molecular weight of 256.36 g/mol. Its IUPAC name is N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID79774889
Molecular FormulaC8H12N6S2
Molecular Weight256.36 g/mol
Exact Mass256.06
IUPAC NameN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnnn2C)s1
InChIInChI=1S/C8H12N6S2/c1-3-9-7-10-4-6(16-7)5-15-8-11-12-13-14(8)2/h4H,3,5H2,1-2H3,(H,9,10)
InChIKeyORHNAOYBSYPUOB-UHFFFAOYSA-N
XLogP1.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 79774889) is N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is CCNc1ncc(CSc2nnnn2C)s1.
What is the InChIKey of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is ORHNAOYBSYPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S2/c1-3-9-7-10-4-6(16-7)5-15-8-11-12-13-14(8)2/h4H,3,5H2,1-2H3,(H,9,10).
What are the key properties of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 256.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).