(5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine

C9H8ClN3S — CID 130731616

IUPAC(5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)cn1)c1ccsn1
InChIInChI=1S/C9H8ClN3S/c10-6-1-2-7(12-5-6)9(11)8-3-4-14-13-8/h1-5,9H,11H2
InChIKeyDWDONKAZNNXKHT-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.24
Rot. Bonds2

About (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine

(5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 130731616) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine
PubChem CID130731616
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name(5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)cn1)c1ccsn1
InChIInChI=1S/C9H8ClN3S/c10-6-1-2-7(12-5-6)9(11)8-3-4-14-13-8/h1-5,9H,11H2
InChIKeyDWDONKAZNNXKHT-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
CID 139490132
1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 138109393
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
CID 63197527
(3-methyl-4-pyridinyl)-(1,2-thiazol-3-yl)methanamine
CID 130713034
3-amino-3-(5-chloro-2-pyridinyl)propanenitrile
CID 55295263
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
2-(1-bromoethyl)-5-chloropyridine
CID 58279845
(5-chloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708383
[(5-chloro-2-pyridinyl)-thiophen-3-ylmethyl]hydrazine
CID 105251361
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
CID 130863797

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine (CID 130731616) is (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine is NC(c1ccc(Cl)cn1)c1ccsn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is DWDONKAZNNXKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-6-1-2-7(12-5-6)9(11)8-3-4-14-13-8/h1-5,9H,11H2.
What are the key properties of (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine?
(5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine has a molecular weight of 225.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130731616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).