tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate

C17H29N3O2S — CID 106834309

IUPACtert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
SMILESCc1ncsc1CNC(CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H29N3O2S/c1-12-15(23-11-20-12)10-18-14(13-7-5-6-8-13)9-19-16(21)22-17(2,3)4/h11,13-14,18H,5-10H2,1-4H3,(H,19,21)
InChIKeyVWEFHXNMWBAQOH-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.62
Rot. Bonds6

About tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate

tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate (PubChem CID 106834309) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
PubChem CID106834309
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
SMILESCc1ncsc1CNC(CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H29N3O2S/c1-12-15(23-11-20-12)10-18-14(13-7-5-6-8-13)9-19-16(21)22-17(2,3)4/h11,13-14,18H,5-10H2,1-4H3,(H,19,21)
InChIKeyVWEFHXNMWBAQOH-UHFFFAOYSA-N
XLogP3.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate (CID 106834309) is tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate is Cc1ncsc1CNC(CNC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate?
The InChIKey is VWEFHXNMWBAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-12-15(23-11-20-12)10-18-14(13-7-5-6-8-13)9-19-16(21)22-17(2,3)4/h11,13-14,18H,5-10H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate?
tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate has a molecular weight of 339.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 106834309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).