5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole

C10H14N2S — CID 130918068

IUPAC5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
SMILESCC1=CCCN(Cc2cncs2)C1
InChIInChI=1S/C10H14N2S/c1-9-3-2-4-12(6-9)7-10-5-11-8-13-10/h3,5,8H,2,4,6-7H2,1H3
InChIKeyDKUGQCZUAHWJPB-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.30
Rot. Bonds2

About 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole

5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole (PubChem CID 130918068) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
PubChem CID130918068
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
SMILESCC1=CCCN(Cc2cncs2)C1
InChIInChI=1S/C10H14N2S/c1-9-3-2-4-12(6-9)7-10-5-11-8-13-10/h3,5,8H,2,4,6-7H2,1H3
InChIKeyDKUGQCZUAHWJPB-UHFFFAOYSA-N
XLogP2.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-oxazole
CID 130638335
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112548802
2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 112640977
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 141119383
2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanethioamide
CID 112640582
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine
CID 124983883
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole (CID 130918068) is 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole is CC1=CCCN(Cc2cncs2)C1.
What is the InChIKey of 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
The InChIKey is DKUGQCZUAHWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-9-3-2-4-12(6-9)7-10-5-11-8-13-10/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole?
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole has a molecular weight of 194.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 130918068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).