(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine

C11H13N3S — CID 168896537

IUPAC(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine
SMILESCc1ncsc1-c1ccc([C@H](C)N)nc1
InChIInChI=1S/C11H13N3S/c1-7(12)10-4-3-9(5-13-10)11-8(2)14-6-15-11/h3-7H,12H2,1-2H3/t7-/m0/s1
InChIKeyVPPUIQNFAGNICD-ZETCQYMHSA-N
MW219.31 g/mol
LogP2.53
Rot. Bonds2

About (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine

(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine (PubChem CID 168896537) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine
PubChem CID168896537
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine
SMILESCc1ncsc1-c1ccc([C@H](C)N)nc1
InChIInChI=1S/C11H13N3S/c1-7(12)10-4-3-9(5-13-10)11-8(2)14-6-15-11/h3-7H,12H2,1-2H3/t7-/m0/s1
InChIKeyVPPUIQNFAGNICD-ZETCQYMHSA-N
XLogP2.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine (CID 168896537) is (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine is Cc1ncsc1-c1ccc([C@H](C)N)nc1.
What is the InChIKey of (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine?
The InChIKey is VPPUIQNFAGNICD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7(12)10-4-3-9(5-13-10)11-8(2)14-6-15-11/h3-7H,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine?
(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 168896537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).