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

C10H14N6S2 — CID 79774044

IUPAC5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnnn2C2CC2)s1
InChIInChI=1S/C10H14N6S2/c1-2-11-9-12-5-8(18-9)6-17-10-13-14-15-16(10)7-3-4-7/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyMGPGQZVFZJMDAX-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.19
Rot. Bonds6

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

5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79774044) has the molecular formula C10H14N6S2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79774044
Molecular FormulaC10H14N6S2
Molecular Weight282.40 g/mol
Exact Mass282.07
IUPAC Name5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnnn2C2CC2)s1
InChIInChI=1S/C10H14N6S2/c1-2-11-9-12-5-8(18-9)6-17-10-13-14-15-16(10)7-3-4-7/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyMGPGQZVFZJMDAX-UHFFFAOYSA-N
XLogP2.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine (CID 79774044) is 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(CSc2nnnn2C2CC2)s1.
What is the InChIKey of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is MGPGQZVFZJMDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S2/c1-2-11-9-12-5-8(18-9)6-17-10-13-14-15-16(10)7-3-4-7/h5,7H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine?
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 282.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).