6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide

C16H18N4OS — CID 133325827

IUPAC6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCCc2ncc(CC)s2)nc1
InChIInChI=1S/C16H18N4OS/c1-3-8-18-16(21)12-5-6-14(19-10-12)17-9-7-15-20-11-13(4-2)22-15/h1,5-6,10-11H,4,7-9H2,2H3,(H,17,19)(H,18,21)
InChIKeyJSZSQEIROMJGHO-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.12
Rot. Bonds7

About 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide

6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133325827) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133325827
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCCc2ncc(CC)s2)nc1
InChIInChI=1S/C16H18N4OS/c1-3-8-18-16(21)12-5-6-14(19-10-12)17-9-7-15-20-11-13(4-2)22-15/h1,5-6,10-11H,4,7-9H2,2H3,(H,17,19)(H,18,21)
InChIKeyJSZSQEIROMJGHO-UHFFFAOYSA-N
XLogP2.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N,N-dimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133323231
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133325999
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133399815
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133325827) is 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NCCc2ncc(CC)s2)nc1.
What is the InChIKey of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is JSZSQEIROMJGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-3-8-18-16(21)12-5-6-14(19-10-12)17-9-7-15-20-11-13(4-2)22-15/h1,5-6,10-11H,4,7-9H2,2H3,(H,17,19)(H,18,21).
What are the key properties of 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133325827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).