4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C10H20N2S — CID 43439518

IUPAC4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)C(C)C)=N1
InChIInChI=1S/C10H20N2S/c1-5-9-6-13-10(12-9)11-8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,11,12)
InChIKeyZJRIYUJXBANLDH-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.50
Rot. Bonds3

About 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439518) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439518
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC(C)C(C)C)=N1
InChIInChI=1S/C10H20N2S/c1-5-9-6-13-10(12-9)11-8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,11,12)
InChIKeyZJRIYUJXBANLDH-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439588
4-ethyl-N-(4-methoxybutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 64605918
2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 61477994
4-ethyl-N-(3-ethylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 65038636
4-ethyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610489
4-ethyl-N-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 83017318
4-ethyl-N-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439713
N-(2,6-dichlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499811
N-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107853215
2-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
CID 106346337
N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439567
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43439518) is 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC(C)C(C)C)=N1.
What is the InChIKey of 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZJRIYUJXBANLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-5-9-6-13-10(12-9)11-8(4)7(2)3/h7-9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).