1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

C12H16N4S — CID 61332350

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C12H16N4S/c1-13-11(8-6-14-16(2)7-8)12-15-9-4-3-5-10(9)17-12/h6-7,11,13H,3-5H2,1-2H3
InChIKeyKGVLYLSZAAFNPM-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.67
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 61332350) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID61332350
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C12H16N4S/c1-13-11(8-6-14-16(2)7-8)12-15-9-4-3-5-10(9)17-12/h6-7,11,13H,3-5H2,1-2H3
InChIKeyKGVLYLSZAAFNPM-UHFFFAOYSA-N
XLogP1.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine 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

1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
1-(3,5-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 106531764
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114937723
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61330942
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 115990371
1-(4-cyclopropylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 79972040
N-[(1-ethylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 103570211
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-2-amine
CID 79584000
N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105104228
1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 102842885
1-(4-bromo-3-methylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 66478811

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (CID 61332350) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is KGVLYLSZAAFNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-13-11(8-6-14-16(2)7-8)12-15-9-4-3-5-10(9)17-12/h6-7,11,13H,3-5H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 248.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61332350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).