(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C9H11N3OS — CID 114408809

IUPAC(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1nc(C(=O)N2CC=CCC2)cs1
InChIInChI=1S/C9H11N3OS/c10-9-11-7(6-14-9)8(13)12-4-2-1-3-5-12/h1-2,6H,3-5H2,(H2,10,11)
InChIKeyROTFMGFWDJGXSD-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.13
Rot. Bonds1

About (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114408809) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114408809
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1nc(C(=O)N2CC=CCC2)cs1
InChIInChI=1S/C9H11N3OS/c10-9-11-7(6-14-9)8(13)12-4-2-1-3-5-12/h1-2,6H,3-5H2,(H2,10,11)
InChIKeyROTFMGFWDJGXSD-UHFFFAOYSA-N
XLogP1.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 62789109
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116682305
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114408809) is (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Nc1nc(C(=O)N2CC=CCC2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is ROTFMGFWDJGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c10-9-11-7(6-14-9)8(13)12-4-2-1-3-5-12/h1-2,6H,3-5H2,(H2,10,11).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 209.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114408809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).