tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate

C18H29N3O3S — CID 58563765

IUPACtert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)ns1
InChIInChI=1S/C18H29N3O3S/c1-17(2,3)13-11-14(25-20-13)19-15(22)12-9-7-8-10-21(12)16(23)24-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,22)/t12-/m0/s1
InChIKeyVCOHVJFIEVLSGG-LBPRGKRZSA-N
MW367.52 g/mol
LogP4.17
Rot. Bonds2

About tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 58563765) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID58563765
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Nametert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)ns1
InChIInChI=1S/C18H29N3O3S/c1-17(2,3)13-11-14(25-20-13)19-15(22)12-9-7-8-10-21(12)16(23)24-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,22)/t12-/m0/s1
InChIKeyVCOHVJFIEVLSGG-LBPRGKRZSA-N
XLogP4.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl 2-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865337
5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 174205004
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl 2-[(3-propan-2-yl-1,2-oxazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 76831366
tert-butyl (2R)-2-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 36765757
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
tert-butyl 2-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 56549084
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 94799566

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate (CID 58563765) is tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1cc(C(C)(C)C)ns1.
What is the InChIKey of tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is VCOHVJFIEVLSGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-17(2,3)13-11-14(25-20-13)19-15(22)12-9-7-8-10-21(12)16(23)24-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,22)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 367.52 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 58563765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).