N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine

C11H20N2S2 — CID 107756577

IUPACN-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSCC(C)CC)s1
InChIInChI=1S/C11H20N2S2/c1-4-9(3)7-14-8-10-6-13-11(15-10)12-5-2/h6,9H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyAUPGABAOALDEBZ-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.85
Rot. Bonds7

About N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine

N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 107756577) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID107756577
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSCC(C)CC)s1
InChIInChI=1S/C11H20N2S2/c1-4-9(3)7-14-8-10-6-13-11(15-10)12-5-2/h6,9H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyAUPGABAOALDEBZ-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
CID 79774435
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774133
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79773840
N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774235
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 115383643
[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 107756782
N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771732
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774889
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 79771464
N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774389
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine (CID 107756577) is N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine is CCNc1ncc(CSCC(C)CC)s1.
What is the InChIKey of N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is AUPGABAOALDEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-4-9(3)7-14-8-10-6-13-11(15-10)12-5-2/h6,9H,4-5,7-8H2,1-3H3,(H,12,13).
What are the key properties of N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 244.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107756577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).