4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole

C13H21N3S — CID 120840116

IUPAC4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2scnc2C2CC2)CC(C)N1
InChIInChI=1S/C13H21N3S/c1-9-5-16(6-10(2)15-9)7-12-13(11-3-4-11)14-8-17-12/h8-11,15H,3-7H2,1-2H3
InChIKeyMQWVHNURPLQNNV-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.20
Rot. Bonds3

About 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole

4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120840116) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120840116
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2scnc2C2CC2)CC(C)N1
InChIInChI=1S/C13H21N3S/c1-9-5-16(6-10(2)15-9)7-12-13(11-3-4-11)14-8-17-12/h8-11,15H,3-7H2,1-2H3
InChIKeyMQWVHNURPLQNNV-UHFFFAOYSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120840116) is 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CN(Cc2scnc2C2CC2)CC(C)N1.
What is the InChIKey of 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is MQWVHNURPLQNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-5-16(6-10(2)15-9)7-12-13(11-3-4-11)14-8-17-12/h8-11,15H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole?
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120840116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).