4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine

C9H16N2S — CID 134908252

IUPAC4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine
SMILES[2H]c1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-6-12-8(10-7)11(4)5/h6H,1-5H3/i6D
InChIKeyPEYFAVXZJITYMY-RAMDWTOOSA-N
MW185.31 g/mol
LogP2.51
Rot. Bonds1

About 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine

4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 134908252) has the molecular formula C9H16N2S and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID134908252
Molecular FormulaC9H16N2S
Molecular Weight185.31 g/mol
Exact Mass185.11
IUPAC Name4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine
SMILES[2H]c1sc(N(C)C)nc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-6-12-8(10-7)11(4)5/h6H,1-5H3/i6D
InChIKeyPEYFAVXZJITYMY-RAMDWTOOSA-N
XLogP2.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-Butyl-1,3-thiazol-2-amine
CID 2734202
Tebatizole
CID 3085056
3-[(4-Tert-butyl-1,3-thiazol-2-yl)(2-cyanoethyl)amino]propanenitrile
CID 3244892
[2-(4-tert-Butyl-thiazol-2-ylsulfanyl)-ethyl]-dimethyl-amine
CID 44374225
N,N,4-Trimethylthiazol-2-amine
CID 11564488
1,4-Dihydro-4,4-dimethyl-1-(4-methyl-2-thiazolyl) pyridine
CID 44313067
4-tert-butyl-N-methyl-1,3-thiazol-2-amine
CID 4175801
4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine
CID 2123303
4-Tert-butyl-1,3-thiazol-2-amine hydrochloride
CID 44118340
N,N,4-triethyl-1,3-thiazol-2-amine
CID 12787020
4-tert-Butyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 12910384
N-methyl-4-(propan-2-yl)-1,3-thiazol-2-amine
CID 12696972

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine (CID 134908252) is 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine is [2H]c1sc(N(C)C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is PEYFAVXZJITYMY-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)7-6-12-8(10-7)11(4)5/h6H,1-5H3/i6D.
What are the key properties of 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine?
4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-deuterio-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 134908252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).