N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H19N3S — CID 114367162

IUPACN-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cccnc2)nc1C1CC1
InChIInChI=1S/C15H19N3S/c1-2-16-10-13-15(12-5-6-12)18-14(19-13)8-11-4-3-7-17-9-11/h3-4,7,9,12,16H,2,5-6,8,10H2,1H3
InChIKeyLFGUKROMCPLJGK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.12
Rot. Bonds6

About N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114367162) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114367162
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cccnc2)nc1C1CC1
InChIInChI=1S/C15H19N3S/c1-2-16-10-13-15(12-5-6-12)18-14(19-13)8-11-4-3-7-17-9-11/h3-4,7,9,12,16H,2,5-6,8,10H2,1H3
InChIKeyLFGUKROMCPLJGK-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367103
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103445265
2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976309
N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367481
4-ethyl-5-(1-methylpiperidin-4-yl)-2-(pyridin-3-ylmethyl)-1,3-thiazole
CID 142020670
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
CID 82436091
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367130
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114367162) is N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(Cc2cccnc2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LFGUKROMCPLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-16-10-13-15(12-5-6-12)18-14(19-13)8-11-4-3-7-17-9-11/h3-4,7,9,12,16H,2,5-6,8,10H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114367162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).