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

C9H11N3S2 — CID 127006730

IUPAC5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1cnc(NCCc2nccs2)s1
InChIInChI=1S/C9H11N3S2/c1-7-6-12-9(14-7)11-3-2-8-10-4-5-13-8/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyRXBCZGSRMLKBBJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.56
Rot. Bonds4

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

5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 127006730) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID127006730
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1cnc(NCCc2nccs2)s1
InChIInChI=1S/C9H11N3S2/c1-7-6-12-9(14-7)11-3-2-8-10-4-5-13-8/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyRXBCZGSRMLKBBJ-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80571434
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
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5-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133323180
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
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5-methyl-2-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278017
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216
N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine
CID 139744786
N-(methoxymethyl)-5-methyl-1,3-thiazol-2-amine
CID 59059026
N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine
CID 130782234
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine (CID 127006730) is 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine is Cc1cnc(NCCc2nccs2)s1.
What is the InChIKey of 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is RXBCZGSRMLKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-7-6-12-9(14-7)11-3-2-8-10-4-5-13-8/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine?
5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 127006730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).