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

C17H20N4S — CID 17277663

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCn1cc(CN(C)Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H20N4S/c1-3-21-11-14(9-18-21)10-20(2)12-16-13-22-17(19-16)15-7-5-4-6-8-15/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyODLPPZHDTCZMMF-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.66
Rot. Bonds6

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

1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 17277663) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID17277663
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCCn1cc(CN(C)Cc2csc(-c3ccccc3)n2)cn1
InChIInChI=1S/C17H20N4S/c1-3-21-11-14(9-18-21)10-20(2)12-16-13-22-17(19-16)15-7-5-4-6-8-15/h4-9,11,13H,3,10,12H2,1-2H3
InChIKeyODLPPZHDTCZMMF-UHFFFAOYSA-N
XLogP3.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
CID 71259693
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 56897241
1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 72900565

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (CID 17277663) is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is CCn1cc(CN(C)Cc2csc(-c3ccccc3)n2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is ODLPPZHDTCZMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-3-21-11-14(9-18-21)10-20(2)12-16-13-22-17(19-16)15-7-5-4-6-8-15/h4-9,11,13H,3,10,12H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 17277663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).