1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

C13H13F2N5S — CID 166274782

IUPAC1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESFC1(F)CC1n1ccc(CNCc2cn3ccsc3n2)n1
InChIInChI=1S/C13H13F2N5S/c14-13(15)5-11(13)20-2-1-9(18-20)6-16-7-10-8-19-3-4-21-12(19)17-10/h1-4,8,11,16H,5-7H2
InChIKeyLDHADLXXFMIMKD-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.46
Rot. Bonds5

About 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (PubChem CID 166274782) has the molecular formula C13H13F2N5S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
PubChem CID166274782
Molecular FormulaC13H13F2N5S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESFC1(F)CC1n1ccc(CNCc2cn3ccsc3n2)n1
InChIInChI=1S/C13H13F2N5S/c14-13(15)5-11(13)20-2-1-9(18-20)6-16-7-10-8-19-3-4-21-12(19)17-10/h1-4,8,11,16H,5-7H2
InChIKeyLDHADLXXFMIMKD-UHFFFAOYSA-N
XLogP2.46
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686128
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
N-[(1-ethylcyclobutyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 114107943
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 115334657
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
CID 115279005

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The IUPAC name of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (CID 166274782) is 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is FC1(F)CC1n1ccc(CNCc2cn3ccsc3n2)n1.
What is the InChIKey of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The InChIKey is LDHADLXXFMIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5S/c14-13(15)5-11(13)20-2-1-9(18-20)6-16-7-10-8-19-3-4-21-12(19)17-10/h1-4,8,11,16H,5-7H2.
What are the key properties of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine has a molecular weight of 309.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is sourced from PubChem (CID 166274782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).