N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C16H23N3S — CID 104842149

IUPACN-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(-c2ccncc2C)sc1CNCC(C)C
InChIInChI=1S/C16H23N3S/c1-5-14-15(10-18-8-11(2)3)20-16(19-14)13-6-7-17-9-12(13)4/h6-7,9,11,18H,5,8,10H2,1-4H3
InChIKeyDTMSHRVFHUULSC-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.82
Rot. Bonds6

About N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104842149) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID104842149
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nc(-c2ccncc2C)sc1CNCC(C)C
InChIInChI=1S/C16H23N3S/c1-5-14-15(10-18-8-11(2)3)20-16(19-14)13-6-7-17-9-12(13)4/h6-7,9,11,18H,5,8,10H2,1-4H3
InChIKeyDTMSHRVFHUULSC-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82431089
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114878725
N-[[2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842077
N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369512
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727
N-[[2-(2-chloro-4-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842167
N-[[2-(2-bromo-5-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107924092
2-methyl-N-[[2-(3-methyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364680
N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842115
N-[[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428213
N-[[2-(3,4-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842156
N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363649

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 104842149) is N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCc1nc(-c2ccncc2C)sc1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DTMSHRVFHUULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-14-15(10-18-8-11(2)3)20-16(19-14)13-6-7-17-9-12(13)4/h6-7,9,11,18H,5,8,10H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104842149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).