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

C16H29N3S — CID 62767813

IUPACN-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN(c2nc(C)c(CNCC(C)C)s2)C1
InChIInChI=1S/C16H29N3S/c1-5-14-7-6-8-19(11-14)16-18-13(4)15(20-16)10-17-9-12(2)3/h12,14,17H,5-11H2,1-4H3
InChIKeyXAKUKXUVUVGATF-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.82
Rot. Bonds6

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

N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62767813) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62767813
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN(c2nc(C)c(CNCC(C)C)s2)C1
InChIInChI=1S/C16H29N3S/c1-5-14-7-6-8-19(11-14)16-18-13(4)15(20-16)10-17-9-12(2)3/h12,14,17H,5-11H2,1-4H3
InChIKeyXAKUKXUVUVGATF-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79935765
2-methyl-N-[[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967795
N-[[2-(3-ethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107510717
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 66369862
2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62766049
1-[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 55117606
N-[[2-(3,4-dimethylpiperazin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63620869
N-[[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62768502
N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79383413
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547
N-[[2-(3-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767997

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62767813) is N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCC1CCCN(c2nc(C)c(CNCC(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XAKUKXUVUVGATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-14-7-6-8-19(11-14)16-18-13(4)15(20-16)10-17-9-12(2)3/h12,14,17H,5-11H2,1-4H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.50 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-[[2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62767813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).