N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine

C10H15F3N2OS — CID 79774608

IUPACN-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2OS/c1-3-4-14-9-15-5-8(17-9)6-16-7(2)10(11,12)13/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyQZKMPNQTBOOBAI-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.43
Rot. Bonds6

About N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine

N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774608) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
PubChem CID79774608
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2OS/c1-3-4-14-9-15-5-8(17-9)6-16-7(2)10(11,12)13/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyQZKMPNQTBOOBAI-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methoxymethyl)-1,3-thiazol-2-amine
CID 20664854
[(2-Acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate
CID 53492853
[5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764294
[5-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764415
[5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764569
[5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765559
5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774189
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774190
N-propyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774284
5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774515
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774516
5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-amine
CID 79774978

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine (CID 79774608) is N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine is CCCNc1ncc(COC(C)C(F)(F)F)s1.
What is the InChIKey of N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
The InChIKey is QZKMPNQTBOOBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-3-4-14-9-15-5-8(17-9)6-16-7(2)10(11,12)13/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine has a molecular weight of 268.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).