N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine

C15H16N4S — CID 62885165

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
SMILESCc1csc(CNCc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C15H16N4S/c1-12-11-20-15(17-12)10-16-9-13-7-8-19(18-13)14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3
InChIKeyHSLLDANPRKYJBX-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.93
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 62885165) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
PubChem CID62885165
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
SMILESCc1csc(CNCc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C15H16N4S/c1-12-11-20-15(17-12)10-16-9-13-7-8-19(18-13)14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3
InChIKeyHSLLDANPRKYJBX-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615262
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 113224886
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 62755804
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 83093025
N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714694
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 63332874

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine (CID 62885165) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine is Cc1csc(CNCc2ccn(-c3ccccc3)n2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is HSLLDANPRKYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-12-11-20-15(17-12)10-16-9-13-7-8-19(18-13)14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine has a molecular weight of 284.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 62885165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).