(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine

C20H23N3S — CID 97222417

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine
SMILESCCc1ncc(CN[C@@H](Cc2ccc(C)cc2)c2cccnc2)s1
InChIInChI=1S/C20H23N3S/c1-3-20-23-14-18(24-20)13-22-19(17-5-4-10-21-12-17)11-16-8-6-15(2)7-9-16/h4-10,12,14,19,22H,3,11,13H2,1-2H3/t19-/m0/s1
InChIKeyMKSFUCZHNKXEDD-IBGZPJMESA-N
MW337.49 g/mol
LogP4.48
Rot. Bonds7

About (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine

(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine (PubChem CID 97222417) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine
PubChem CID97222417
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine
SMILESCCc1ncc(CN[C@@H](Cc2ccc(C)cc2)c2cccnc2)s1
InChIInChI=1S/C20H23N3S/c1-3-20-23-14-18(24-20)13-22-19(17-5-4-10-21-12-17)11-16-8-6-15(2)7-9-16/h4-10,12,14,19,22H,3,11,13H2,1-2H3/t19-/m0/s1
InChIKeyMKSFUCZHNKXEDD-IBGZPJMESA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine (CID 97222417) is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine is CCc1ncc(CN[C@@H](Cc2ccc(C)cc2)c2cccnc2)s1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine?
The InChIKey is MKSFUCZHNKXEDD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3S/c1-3-20-23-14-18(24-20)13-22-19(17-5-4-10-21-12-17)11-16-8-6-15(2)7-9-16/h4-10,12,14,19,22H,3,11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine has a molecular weight of 337.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(4-methylphenyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 97222417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).