N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine

C9H12F2N2S — CID 130834238

IUPACN-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCC2CC(F)(F)C2)n1
InChIInChI=1S/C9H12F2N2S/c1-6-5-14-8(13-6)12-4-7-2-9(10,11)3-7/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyHAFVSSKVKYOROB-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.91
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine

N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 130834238) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID130834238
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCC2CC(F)(F)C2)n1
InChIInChI=1S/C9H12F2N2S/c1-6-5-14-8(13-6)12-4-7-2-9(10,11)3-7/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyHAFVSSKVKYOROB-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
[1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclopropyl]methanol
CID 115455218
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 141165466
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 113283361
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
N-[(3,3-difluorocyclobutyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 142576166
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,3-thiazol-2-amine
CID 114284707
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 130834238) is N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NCC2CC(F)(F)C2)n1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HAFVSSKVKYOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-6-5-14-8(13-6)12-4-7-2-9(10,11)3-7/h5,7H,2-4H2,1H3,(H,12,13).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine?
N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 218.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130834238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).