3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine

C10H15F3N4S — CID 43752673

IUPAC3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESNCC(N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8(7-14)16-2-4-17(5-3-16)9-15-1-6-18-9/h1,6,8H,2-5,7,14H2
InChIKeyNBPNOHCVQMCUHD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds3

About 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine

3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 43752673) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID43752673
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESNCC(N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8(7-14)16-2-4-17(5-3-16)9-15-1-6-18-9/h1,6,8H,2-5,7,14H2
InChIKeyNBPNOHCVQMCUHD-UHFFFAOYSA-N
XLogP1.15
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Thiazol-2-yl)piperazine
CID 911806
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/2)
CID 21925413
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/1)
CID 23467106
N-(1,3-thiazol-2-yl)piperidin-4-amine
CID 43345808
1-(1,3-Thiazol-2-yl)piperidin-4-amine
CID 43430566
2-[8-(2,2,2-Trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,3-thiazole
CID 134790741
2-[4-(Prop-2-yn-1-yl)piperazin-1-yl]thiazole
CID 60708694
2-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]propanenitrile
CID 42931497
1-(1,3-thiazol-2-yl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 97810837
N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 125526772
2-(4,4-Difluoropiperidin-1-yl)thiazole
CID 121184631

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (CID 43752673) is 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is NCC(N1CCN(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is NBPNOHCVQMCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)8(7-14)16-2-4-17(5-3-16)9-15-1-6-18-9/h1,6,8H,2-5,7,14H2.
What are the key properties of 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 43752673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).