N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

C13H21N3OS2 — CID 138046894

IUPACN,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCc1csc(SCC2CCN(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C13H21N3OS2/c1-10-8-18-12(14-10)19-9-11-4-6-16(7-5-11)13(17)15(2)3/h8,11H,4-7,9H2,1-3H3
InChIKeyOJDCSGZQDXYSRS-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.94
Rot. Bonds3

About N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (PubChem CID 138046894) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
PubChem CID138046894
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCc1csc(SCC2CCN(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C13H21N3OS2/c1-10-8-18-12(14-10)19-9-11-4-6-16(7-5-11)13(17)15(2)3/h8,11H,4-7,9H2,1-3H3
InChIKeyOJDCSGZQDXYSRS-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 71800793
(5-methyl-1,2-oxazol-3-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800794
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800825
N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800806
N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800814
1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 71800783
2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800826
4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole
CID 71800818
1-(3,5-dimethylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4235369
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 4005954
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (CID 138046894) is N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is Cc1csc(SCC2CCN(C(=O)N(C)C)CC2)n1.
What is the InChIKey of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The InChIKey is OJDCSGZQDXYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-10-8-18-12(14-10)19-9-11-4-6-16(7-5-11)13(17)15(2)3/h8,11H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide has a molecular weight of 299.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 138046894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).