tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate

C12H21N3O2S — CID 86597775

IUPACtert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCc1nc(NCCNC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C12H21N3O2S/c1-8-9(2)18-10(15-8)13-6-7-14-11(16)17-12(3,4)5/h6-7H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyMWDLCSVNPRXDOQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate (PubChem CID 86597775) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
PubChem CID86597775
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCc1nc(NCCNC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C12H21N3O2S/c1-8-9(2)18-10(15-8)13-6-7-14-11(16)17-12(3,4)5/h6-7H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyMWDLCSVNPRXDOQ-UHFFFAOYSA-N
XLogP2.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 67549095
tert-butyl N-[2-[[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 138461627
tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
CID 151355104
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]ethylcarbamic acid
CID 22563250
2-(2-t-Butoxycarbonylaminoethylamino)-4-(2-t-butoxycarbonylaminoethylthiomethyl)-5-thiocyanato-1,3-thiazole
CID 22726875
2-(2-t-Butoxycarbonylaminoethylamino)-4-(2-t-butoxycarbonylaminoethylthiomethyl)-5-mercapto-1,3-thiazole
CID 22726938
Tert-butyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 23076440
tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 57855241
tert-Butyl{2-[(4-amino-5-cyano-1,3-thiazol-2-yl)amino]ethyl}carbamate
CID 57911749
Ethyl 2-[(dimethylamino)methylamino]-4,5-dimethyl-1,3-thiazol-3-ium-3-carboxylate
CID 59153405
Tert-butyl (5-ethynyl-4-methylthiazol-2-yl)carbamate
CID 86630951
tert-butyl N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopentan-2-yl]carbamate
CID 88046683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate (CID 86597775) is tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate is Cc1nc(NCCNC(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The InChIKey is MWDLCSVNPRXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8-9(2)18-10(15-8)13-6-7-14-11(16)17-12(3,4)5/h6-7H2,1-5H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate has a molecular weight of 271.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 86597775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).