N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H24N4S — CID 55217979

IUPACN-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(N2CCN(C)C(C)C2)sc1CNC1CC1
InChIInChI=1S/C14H24N4S/c1-10-9-18(7-6-17(10)3)14-16-11(2)13(19-14)8-15-12-4-5-12/h10,12,15H,4-9H2,1-3H3
InChIKeyGYIONGNDHASBKP-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.84
Rot. Bonds4

About N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 55217979) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID55217979
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(N2CCN(C)C(C)C2)sc1CNC1CC1
InChIInChI=1S/C14H24N4S/c1-10-9-18(7-6-17(10)3)14-16-11(2)13(19-14)8-15-12-4-5-12/h10,12,15H,4-9H2,1-3H3
InChIKeyGYIONGNDHASBKP-UHFFFAOYSA-N
XLogP1.84
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 55217979) is N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1nc(N2CCN(C)C(C)C2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is GYIONGNDHASBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10-9-18(7-6-17(10)3)14-16-11(2)13(19-14)8-15-12-4-5-12/h10,12,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 280.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55217979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).