(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine

C10H16N2OS — CID 42958964

IUPAC(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C10H16N2OS/c1-6-8(7(2)12-13)14-9(11-6)10(3,4)5/h13H,1-5H3/b12-7+
InChIKeyXJQHTPYTEOSMGK-KPKJPENVSA-N
MW212.32 g/mol
LogP2.95
Rot. Bonds1

About (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine

(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (PubChem CID 42958964) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
PubChem CID42958964
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C10H16N2OS/c1-6-8(7(2)12-13)14-9(11-6)10(3,4)5/h13H,1-5H3/b12-7+
InChIKeyXJQHTPYTEOSMGK-KPKJPENVSA-N
XLogP2.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
2-amino-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 105466261
1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 71896580
N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine
CID 6399946
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146086451
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49016384
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738
2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 119205538
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371482
(NZ)-N-[1-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine
CID 136904763

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (CID 42958964) is (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is C/C(=N\O)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is XJQHTPYTEOSMGK-KPKJPENVSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-8(7(2)12-13)14-9(11-6)10(3,4)5/h13H,1-5H3/b12-7+.
What are the key properties of (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 212.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 42958964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).