N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine

C12H17N3S2 — CID 62961184

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C12H17N3S2/c1-5-10-6-16-12(15-10)14-8(3)11-7(2)13-9(4)17-11/h6,8H,5H2,1-4H3,(H,14,15)
InChIKeyJFVACYQXAFUWDB-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.95
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 62961184) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID62961184
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C12H17N3S2/c1-5-10-6-16-12(15-10)14-8(3)11-7(2)13-9(4)17-11/h6,8H,5H2,1-4H3,(H,14,15)
InChIKeyJFVACYQXAFUWDB-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cambridge id 6553686
CID 2902374
1-Ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111689450
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111689614
1-[2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 112095742
1-[2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 112095743
1-[2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 112095749
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71878365
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58584175
4-Methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
4-Methyl-5-[1-(propan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 87904293
5-[1-(Butylamino)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 87904340
N-cyclohexyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 117848464

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine (CID 62961184) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NC(C)c2sc(C)nc2C)n1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is JFVACYQXAFUWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-5-10-6-16-12(15-10)14-8(3)11-7(2)13-9(4)17-11/h6,8H,5H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62961184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).