(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine

C11H13N3S — CID 81406357

IUPAC(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1nccs1)c1ccncc1
InChIInChI=1S/C11H13N3S/c1-9(10-2-4-12-5-3-10)14-8-11-13-6-7-15-11/h2-7,9,14H,8H2,1H3/t9-/m0/s1
InChIKeyBNAYTCHVXROFKE-VIFPVBQESA-N
MW219.31 g/mol
LogP2.39
Rot. Bonds4

About (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine

(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 81406357) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID81406357
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1nccs1)c1ccncc1
InChIInChI=1S/C11H13N3S/c1-9(10-2-4-12-5-3-10)14-8-11-13-6-7-15-11/h2-7,9,14H,8H2,1H3/t9-/m0/s1
InChIKeyBNAYTCHVXROFKE-VIFPVBQESA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 81406357) is (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine is C[C@H](NCc1nccs1)c1ccncc1.
What is the InChIKey of (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is BNAYTCHVXROFKE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3S/c1-9(10-2-4-12-5-3-10)14-8-11-13-6-7-15-11/h2-7,9,14H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81406357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).