N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C15H24N4S — CID 115990377

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1cn(C)nc1CC
InChIInChI=1S/C15H24N4S/c1-6-12-11(8-19(5)18-12)14(16-7-2)15-17-13(9-20-15)10(3)4/h8-10,14,16H,6-7H2,1-5H3
InChIKeySANQCMIPRZIFMJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.26
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 115990377) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID115990377
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1cn(C)nc1CC
InChIInChI=1S/C15H24N4S/c1-6-12-11(8-19(5)18-12)14(16-7-2)15-17-13(9-20-15)10(3)4/h8-10,14,16H,6-7H2,1-5H3
InChIKeySANQCMIPRZIFMJ-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331610
N-[(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66140055
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102812689
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-1-amine
CID 61331622

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 115990377) is N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C(C)C)cs1)c1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is SANQCMIPRZIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-12-11(8-19(5)18-12)14(16-7-2)15-17-13(9-20-15)10(3)4/h8-10,14,16H,6-7H2,1-5H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115990377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).