(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone

C12H18N2OS — CID 110465501

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(C)C2)c(C)s1
InChIInChI=1S/C12H18N2OS/c1-8-5-4-6-14(7-8)12(15)11-9(2)16-10(3)13-11/h8H,4-7H2,1-3H3
InChIKeyBXGYZSCVZWAVEN-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.63
Rot. Bonds1

About (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone

(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110465501) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110465501
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(C)C2)c(C)s1
InChIInChI=1S/C12H18N2OS/c1-8-5-4-6-14(7-8)12(15)11-9(2)16-10(3)13-11/h8H,4-7H2,1-3H3
InChIKeyBXGYZSCVZWAVEN-UHFFFAOYSA-N
XLogP2.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116715
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
(4-methyl-1,2-oxazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856012
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
CID 110856129
4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde
CID 110850068
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(3-methylpiperidin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
CID 84577036
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
(4-iodo-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 903337

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone (CID 110465501) is (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCCC(C)C2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BXGYZSCVZWAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-5-4-6-14(7-8)12(15)11-9(2)16-10(3)13-11/h8H,4-7H2,1-3H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110465501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).