1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

C11H13N7S2 — CID 63804431

IUPAC1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Sc2nnnn2C2CC2)nc2sccn12
InChIInChI=1S/C11H13N7S2/c1-12-6-8-9(13-10-17(8)4-5-19-10)20-11-14-15-16-18(11)7-2-3-7/h4-5,7,12H,2-3,6H2,1H3
InChIKeyFPXFWDKBSFZAQO-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.59
Rot. Bonds5

About 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 63804431) has the molecular formula C11H13N7S2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID63804431
Molecular FormulaC11H13N7S2
Molecular Weight307.41 g/mol
Exact Mass307.07
IUPAC Name1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(Sc2nnnn2C2CC2)nc2sccn12
InChIInChI=1S/C11H13N7S2/c1-12-6-8-9(13-10-17(8)4-5-19-10)20-11-14-15-16-18(11)7-2-3-7/h4-5,7,12H,2-3,6H2,1H3
InChIKeyFPXFWDKBSFZAQO-UHFFFAOYSA-N
XLogP1.59
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 63804431) is 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(Sc2nnnn2C2CC2)nc2sccn12.
What is the InChIKey of 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is FPXFWDKBSFZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S2/c1-12-6-8-9(13-10-17(8)4-5-19-10)20-11-14-15-16-18(11)7-2-3-7/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 307.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63804431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).