N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C12H13N5S2 — CID 56788915

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCc3csc(C4CC4)n3)sc2n1
InChIInChI=1S/C12H13N5S2/c1-7-5-17-12(14-7)19-11(16-17)13-4-9-6-18-10(15-9)8-2-3-8/h5-6,8H,2-4H2,1H3,(H,13,16)
InChIKeyRZSSIWKGQJIWEH-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.05
Rot. Bonds4

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 56788915) has the molecular formula C12H13N5S2 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID56788915
Molecular FormulaC12H13N5S2
Molecular Weight291.41 g/mol
Exact Mass291.06
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCc3csc(C4CC4)n3)sc2n1
InChIInChI=1S/C12H13N5S2/c1-7-5-17-12(14-7)19-11(16-17)13-4-9-6-18-10(15-9)8-2-3-8/h5-6,8H,2-4H2,1H3,(H,13,16)
InChIKeyRZSSIWKGQJIWEH-UHFFFAOYSA-N
XLogP3.05
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 56788915) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCc3csc(C4CC4)n3)sc2n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is RZSSIWKGQJIWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-7-5-17-12(14-7)19-11(16-17)13-4-9-6-18-10(15-9)8-2-3-8/h5-6,8H,2-4H2,1H3,(H,13,16).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 291.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 56788915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).