N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine

C12H17N3S — CID 62397504

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1cn2c(CNC3CC3C)c(C)nc2s1
InChIInChI=1S/C12H17N3S/c1-7-4-10(7)13-5-11-9(3)14-12-15(11)6-8(2)16-12/h6-7,10,13H,4-5H2,1-3H3
InChIKeyDCPPFNIVFCSPJZ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.51
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62397504) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62397504
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCc1cn2c(CNC3CC3C)c(C)nc2s1
InChIInChI=1S/C12H17N3S/c1-7-4-10(7)13-5-11-9(3)14-12-15(11)6-8(2)16-12/h6-7,10,13H,4-5H2,1-3H3
InChIKeyDCPPFNIVFCSPJZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine (CID 62397504) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine is Cc1cn2c(CNC3CC3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is DCPPFNIVFCSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-7-4-10(7)13-5-11-9(3)14-12-15(11)6-8(2)16-12/h6-7,10,13H,4-5H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62397504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).