(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C10H13N3OS — CID 114408882

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CC=CCC1
InChIInChI=1S/C10H13N3OS/c1-7-8(15-10(11)12-7)9(14)13-5-3-2-4-6-13/h2-3H,4-6H2,1H3,(H2,11,12)
InChIKeyCJOBJJZXZOKVQF-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.44
Rot. Bonds1

About (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114408882) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114408882
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CC=CCC1
InChIInChI=1S/C10H13N3OS/c1-7-8(15-10(11)12-7)9(14)13-5-3-2-4-6-13/h2-3H,4-6H2,1H3,(H2,11,12)
InChIKeyCJOBJJZXZOKVQF-UHFFFAOYSA-N
XLogP1.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.44
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-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409280
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114413665
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678315
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 62792932
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62793634
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219312
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123482
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114408882) is (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1nc(N)sc1C(=O)N1CC=CCC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is CJOBJJZXZOKVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-8(15-10(11)12-7)9(14)13-5-3-2-4-6-13/h2-3H,4-6H2,1H3,(H2,11,12).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114408882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).