tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate

C15H25N3O2S — CID 66902553

IUPACtert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)N1Cc1nccs1
InChIInChI=1S/C15H25N3O2S/c1-11-8-17(14(19)20-15(3,4)5)9-12(2)18(11)10-13-16-6-7-21-13/h6-7,11-12H,8-10H2,1-5H3
InChIKeyOWUNILACPQMFTK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate

tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 66902553) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate
PubChem CID66902553
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)N1Cc1nccs1
InChIInChI=1S/C15H25N3O2S/c1-11-8-17(14(19)20-15(3,4)5)9-12(2)18(11)10-13-16-6-7-21-13/h6-7,11-12H,8-10H2,1-5H3
InChIKeyOWUNILACPQMFTK-UHFFFAOYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10956191
Tert-butyl 3-amino-3-(1,3-thiazol-2-yl)azetidine-1-carboxylate hydrochloride
CID 165760255
Ethyl [2,2'-bithiazole]-3(2H)-carboxylate
CID 13032472
3-Methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70782939
4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 118297268
tert-butyl (2R)-2-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
CID 134165322
tert-butyl (2R)-2-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
CID 141444255
tert-butyl N-{[(2S,4S)-4-fluoro-1-[(1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methyl}-N-methylcarbamate
CID 165925832
Tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
CID 18538756
4-(Thiazol-2-ylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 18538907
tert-Butyl 4-(thiazol-2-yloxy)piperidine-1-carboxylate
CID 21906099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate (CID 66902553) is tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC(C)N1Cc1nccs1.
What is the InChIKey of tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is OWUNILACPQMFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-8-17(14(19)20-15(3,4)5)9-12(2)18(11)10-13-16-6-7-21-13/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate?
tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 66902553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).