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

C14H19N3O2S2 — CID 158874937

IUPACtert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCCc1cnc(-c2ncc(CNC(=O)OC(C)(C)C)s2)s1
InChIInChI=1S/C14H19N3O2S2/c1-5-9-6-15-11(20-9)12-16-7-10(21-12)8-17-13(18)19-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyBKJDILBEIMBKFR-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.85
Rot. Bonds4

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

tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate (PubChem CID 158874937) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
PubChem CID158874937
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Nametert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCCc1cnc(-c2ncc(CNC(=O)OC(C)(C)C)s2)s1
InChIInChI=1S/C14H19N3O2S2/c1-5-9-6-15-11(20-9)12-16-7-10(21-12)8-17-13(18)19-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyBKJDILBEIMBKFR-UHFFFAOYSA-N
XLogP3.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719795
tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719888
tert-butyl N-[[2-[4-[4-(diethylamino)butyl]phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719487
tert-butyl N-[[2-[4-(4-aminobutoxy)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719862
tert-butyl N-[[2-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719799
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
CID 122608960
tert-butyl N-[[2-[4-(4-hydroxybutyl)pyrazol-1-yl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719396
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate (CID 158874937) is tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate is CCc1cnc(-c2ncc(CNC(=O)OC(C)(C)C)s2)s1.
What is the InChIKey of tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate?
The InChIKey is BKJDILBEIMBKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-5-9-6-15-11(20-9)12-16-7-10(21-12)8-17-13(18)19-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate?
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate has a molecular weight of 325.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 158874937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).