N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine

C6H8BrF2N3S — CID 114384335

IUPACN'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESNCC(F)(F)CNc1nc(Br)cs1
InChIInChI=1S/C6H8BrF2N3S/c7-4-1-13-5(12-4)11-3-6(8,9)2-10/h1H,2-3,10H2,(H,11,12)
InChIKeyBDSQWQJLFCPBHC-UHFFFAOYSA-N
MW272.12 g/mol
LogP1.91
Rot. Bonds4

About N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine

N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine (PubChem CID 114384335) has the molecular formula C6H8BrF2N3S and a molecular weight of 272.12 g/mol. Its IUPAC name is N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine
PubChem CID114384335
Molecular FormulaC6H8BrF2N3S
Molecular Weight272.12 g/mol
Exact Mass270.96
IUPAC NameN'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESNCC(F)(F)CNc1nc(Br)cs1
InChIInChI=1S/C6H8BrF2N3S/c7-4-1-13-5(12-4)11-3-6(8,9)2-10/h1H,2-3,10H2,(H,11,12)
InChIKeyBDSQWQJLFCPBHC-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-2-(3,3-difluoropyrrolidin-1-yl)-1,3-thiazole
CID 130607013
4-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398747
4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398922
4-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
CID 79399152
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399412
4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399535
4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399659
4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 79399733
4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399763
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79399802
4-bromo-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79400506
4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83151949

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine (CID 114384335) is N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine is NCC(F)(F)CNc1nc(Br)cs1.
What is the InChIKey of N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is BDSQWQJLFCPBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF2N3S/c7-4-1-13-5(12-4)11-3-6(8,9)2-10/h1H,2-3,10H2,(H,11,12).
What are the key properties of N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine?
N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 272.12 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1,3-thiazol-2-yl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 114384335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).