4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C6H5F5N2O2S — CID 134611671

IUPAC4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc(C(F)F)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H4F2N2S.C2HF3O2/c5-3(6)2-1-9-4(7)8-2;3-2(4,5)1(6)7/h1,3H,(H2,7,8);(H,6,7)
InChIKeyCCFQXOLRFGHRRN-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.30
Rot. Bonds1

About 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 134611671) has the molecular formula C6H5F5N2O2S and a molecular weight of 264.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID134611671
Molecular FormulaC6H5F5N2O2S
Molecular Weight264.18 g/mol
Exact Mass264.00
IUPAC Name4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc(C(F)F)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H4F2N2S.C2HF3O2/c5-3(6)2-1-9-4(7)8-2;3-2(4,5)1(6)7/h1,3H,(H2,7,8);(H,6,7)
InChIKeyCCFQXOLRFGHRRN-UHFFFAOYSA-N
XLogP2.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Famotidine propionic acid
CID 13852966
2-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}acetic acid
CID 38996181
Thiazole, 2-amino-4-methyl-, monoformate
CID 3048486
4-(Difluoromethyl)-1,3-thiazol-2-amine hydrochloride
CID 117274215
4-(Difluoromethyl)-1,3-thiazol-2-amine
CID 45121650
[4-(Fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87536540
[4-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87545584
[(4-Methyl-1,3-thiazol-2-yl)carbamoylamino] 2,2,2-trifluoroacetate
CID 140200213
2-[(2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid
CID 79357057
2-[(2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2,2-difluoroacetic acid
CID 81217147
2-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 120963834
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 152781288

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 134611671) is 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1nc(C(F)F)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CCFQXOLRFGHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S.C2HF3O2/c5-3(6)2-1-9-4(7)8-2;3-2(4,5)1(6)7/h1,3H,(H2,7,8);(H,6,7).
What are the key properties of 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 264.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134611671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).