methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate

C16H21N3O3S — CID 122151934

IUPACmethyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCCc1nc(C)c(C(=O)N2CCC(C#N)(C(=O)OC)CC2)s1
InChIInChI=1S/C16H21N3O3S/c1-4-5-12-18-11(2)13(23-12)14(20)19-8-6-16(10-17,7-9-19)15(21)22-3/h4-9H2,1-3H3
InChIKeyFGDDTHLWCISBAN-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.32
Rot. Bonds4

About methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate

methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 122151934) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID122151934
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Namemethyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCCc1nc(C)c(C(=O)N2CCC(C#N)(C(=O)OC)CC2)s1
InChIInChI=1S/C16H21N3O3S/c1-4-5-12-18-11(2)13(23-12)14(20)19-8-6-16(10-17,7-9-19)15(21)22-3/h4-9H2,1-3H3
InChIKeyFGDDTHLWCISBAN-UHFFFAOYSA-N
XLogP2.32
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]pentan-1-one
CID 55922391
(4-methyl-2-propyl-1,3-thiazol-5-yl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122158834
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
(2S)-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366168
4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
CID 107160763
1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119137755
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 120807368
methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate
CID 116887037
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
7-[[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685909

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate (CID 122151934) is methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate is CCCc1nc(C)c(C(=O)N2CCC(C#N)(C(=O)OC)CC2)s1.
What is the InChIKey of methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is FGDDTHLWCISBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-5-12-18-11(2)13(23-12)14(20)19-8-6-16(10-17,7-9-19)15(21)22-3/h4-9H2,1-3H3.
What are the key properties of methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 122151934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).