5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine

C8H8F2N4S2 — CID 43144097

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C8H8F2N4S2/c9-7(10)14-2-1-12-5(14)4-15-6-3-13-8(11)16-6/h1-3,7H,4H2,(H2,11,13)
InChIKeyBLPONDSIWQATAZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.61
Rot. Bonds4

About 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43144097) has the molecular formula C8H8F2N4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43144097
Molecular FormulaC8H8F2N4S2
Molecular Weight262.31 g/mol
Exact Mass262.02
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2nccn2C(F)F)s1
InChIInChI=1S/C8H8F2N4S2/c9-7(10)14-2-1-12-5(14)4-15-6-3-13-8(11)16-6/h1-3,7H,4H2,(H2,11,13)
InChIKeyBLPONDSIWQATAZ-UHFFFAOYSA-N
XLogP2.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Imidazol-1-ylpropyl)-3-thiazol-2-yl-thiourea
CID 3003033
5-Trifluoromethylimidazo[5,1-b]thiazole
CID 154926097
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75432137
N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77084707
7-(2-Fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazole
CID 22631659
7-Trifluoromethylthioimidazo[5,1-b]thiazole
CID 22631720
7-Fluoromethylthioimidazo[5,1-b]thiazole
CID 22632038
2-Amino-1-thiazolyl imidazole
CID 123836247
N,N-dimethyl-2-(1,3-thiazol-2-yl)imidazole-1-sulfonamide
CID 135000015
5-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43144099
2-[4-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]-1,3-thiazole
CID 53556021
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 54913604

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine (CID 43144097) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCc2nccn2C(F)F)s1.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is BLPONDSIWQATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4S2/c9-7(10)14-2-1-12-5(14)4-15-6-3-13-8(11)16-6/h1-3,7H,4H2,(H2,11,13).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43144097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).