5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C13H19N5S — CID 154736173

IUPAC5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cn3c(n2)CCCC3)s1
InChIInChI=1S/C13H19N5S/c1-9(2)12-16-17-13(19-12)14-7-10-8-18-6-4-3-5-11(18)15-10/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyMQCZPAAIKYKXOV-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.81
Rot. Bonds4

About 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 154736173) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID154736173
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cn3c(n2)CCCC3)s1
InChIInChI=1S/C13H19N5S/c1-9(2)12-16-17-13(19-12)14-7-10-8-18-6-4-3-5-11(18)15-10/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyMQCZPAAIKYKXOV-UHFFFAOYSA-N
XLogP2.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 154736173) is 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCc2cn3c(n2)CCCC3)s1.
What is the InChIKey of 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MQCZPAAIKYKXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9(2)12-16-17-13(19-12)14-7-10-8-18-6-4-3-5-11(18)15-10/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 154736173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).