2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine

C14H25N3S — CID 55156826

IUPAC2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1nc2c(s1)CN(C(C)C)CC2
InChIInChI=1S/C14H25N3S/c1-10(2)7-15-8-14-16-12-5-6-17(11(3)4)9-13(12)18-14/h10-11,15H,5-9H2,1-4H3
InChIKeyQMWKDMGCNZJSAR-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.66
Rot. Bonds5

About 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine

2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine (PubChem CID 55156826) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
PubChem CID55156826
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1nc2c(s1)CN(C(C)C)CC2
InChIInChI=1S/C14H25N3S/c1-10(2)7-15-8-14-16-12-5-6-17(11(3)4)9-13(12)18-14/h10-11,15H,5-9H2,1-4H3
InChIKeyQMWKDMGCNZJSAR-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine (CID 55156826) is 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine is CC(C)CNCc1nc2c(s1)CN(C(C)C)CC2.
What is the InChIKey of 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
The InChIKey is QMWKDMGCNZJSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)7-15-8-14-16-12-5-6-17(11(3)4)9-13(12)18-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 55156826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).