[4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

C13H21F3N4S — CID 62970041

IUPAC[4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCN(CC(F)(F)F)CC2)sc1CN
InChIInChI=1S/C13H21F3N4S/c1-2-3-10-11(8-17)21-12(18-10)20-6-4-19(5-7-20)9-13(14,15)16/h2-9,17H2,1H3
InChIKeyHOPPJBXBVXVABJ-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.24
Rot. Bonds5

About [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine

[4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 62970041) has the molecular formula C13H21F3N4S and a molecular weight of 322.40 g/mol. Its IUPAC name is [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID62970041
Molecular FormulaC13H21F3N4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC Name[4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCN(CC(F)(F)F)CC2)sc1CN
InChIInChI=1S/C13H21F3N4S/c1-2-3-10-11(8-17)21-12(18-10)20-6-4-19(5-7-20)9-13(14,15)16/h2-9,17H2,1H3
InChIKeyHOPPJBXBVXVABJ-UHFFFAOYSA-N
XLogP2.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminobutyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21298743
5-[1-(4,4-Difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazol-2-amine
CID 123480901
7,7-difluoro-N-methyl-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 142605703
5-[2-(dimethylamino)ethyl]-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 143323973
2-(4-Ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 58459811
2-(4-Methylpiperazin-1-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CID 91064014
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112448
2-N-ethyl-7-N-methyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 55112494
N-cyclopropyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112495
2-N-cyclopropyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 55113669
5-(1-aminoethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55113714
5-(aminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117229

Frequently Asked Questions

What is the IUPAC name of [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 62970041) is [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2CCN(CC(F)(F)F)CC2)sc1CN.
What is the InChIKey of [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is HOPPJBXBVXVABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4S/c1-2-3-10-11(8-17)21-12(18-10)20-6-4-19(5-7-20)9-13(14,15)16/h2-9,17H2,1H3.
What are the key properties of [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine?
[4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 322.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62970041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).