tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

C18H26N4O2S — CID 143759270

IUPACtert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCC1CN=CC=C1c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H26N4O2S/c1-13-11-19-6-5-14(13)15-12-25-16(20-15)21-7-9-22(10-8-21)17(23)24-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3
InChIKeyZATIOJRQFMVQFE-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 143759270) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID143759270
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Nametert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCC1CN=CC=C1c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H26N4O2S/c1-13-11-19-6-5-14(13)15-12-25-16(20-15)21-7-9-22(10-8-21)17(23)24-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3
InChIKeyZATIOJRQFMVQFE-UHFFFAOYSA-N
XLogP3.30
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 68776217
tert-butyl 4-[4-(dimethylcarbamoyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxylate
CID 69363856
tert-butyl 4-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 52502675
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 53418800
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzothiazole-5-carboxylic acid
CID 137346705
methyl 4-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 51118404
tert-butyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 59496775
CID 89017886
CID 89017886
tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 68777852
4-[2-[(8aS)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 137385306
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
ethyl 4-chloro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 90440188

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 143759270) is tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is CC1CN=CC=C1c1csc(N2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is ZATIOJRQFMVQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-13-11-19-6-5-14(13)15-12-25-16(20-15)21-7-9-22(10-8-21)17(23)24-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate has a molecular weight of 362.50 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(3-methyl-2,3-dihydropyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 143759270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).