tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate

C25H29N3O3S2 — CID 55972662

IUPACtert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C25H29N3O3S2/c1-25(2,3)31-24(30)26-18-11-13-28(14-12-18)21(29)16-20-22(19-10-7-15-32-19)27-23(33-20)17-8-5-4-6-9-17/h4-10,15,18H,11-14,16H2,1-3H3,(H,26,30)
InChIKeyHGPKVVBALMZGHD-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.60
Rot. Bonds5

About tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate (PubChem CID 55972662) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
PubChem CID55972662
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC Nametert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C25H29N3O3S2/c1-25(2,3)31-24(30)26-18-11-13-28(14-12-18)21(29)16-20-22(19-10-7-15-32-19)27-23(33-20)17-8-5-4-6-9-17/h4-10,15,18H,11-14,16H2,1-3H3,(H,26,30)
InChIKeyHGPKVVBALMZGHD-UHFFFAOYSA-N
XLogP5.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 119485358
tert-butyl N-[1-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]carbamate
CID 55971768
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 55972076
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 28714175
N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33349321
tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
CID 55972152
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
phenyl N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamate
CID 110820702
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate (CID 55972662) is tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is HGPKVVBALMZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-25(2,3)31-24(30)26-18-11-13-28(14-12-18)21(29)16-20-22(19-10-7-15-32-19)27-23(33-20)17-8-5-4-6-9-17/h4-10,15,18H,11-14,16H2,1-3H3,(H,26,30).
What are the key properties of tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 483.66 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55972662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).