1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

C16H30N4S — CID 115415642

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)CC1CN(C)CCN1C
InChIInChI=1S/C16H30N4S/c1-5-6-17-14(10-16-18-13(2)12-21-16)9-15-11-19(3)7-8-20(15)4/h12,14-15,17H,5-11H2,1-4H3
InChIKeyRFIWLMSWJCJEAT-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.00
Rot. Bonds7

About 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (PubChem CID 115415642) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
PubChem CID115415642
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)CC1CN(C)CCN1C
InChIInChI=1S/C16H30N4S/c1-5-6-17-14(10-16-18-13(2)12-21-16)9-15-11-19(3)7-8-20(15)4/h12,14-15,17H,5-11H2,1-4H3
InChIKeyRFIWLMSWJCJEAT-UHFFFAOYSA-N
XLogP2.00
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine with MolForge

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115415653
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (CID 115415642) is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1nc(C)cs1)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The InChIKey is RFIWLMSWJCJEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-6-17-14(10-16-18-13(2)12-21-16)9-15-11-19(3)7-8-20(15)4/h12,14-15,17H,5-11H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 115415642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).