4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C12H17N3S3 — CID 82423315

IUPAC4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCSCc1ncc(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C12H17N3S3/c1-4-16-7-11-13-5-10(18-11)9-6-17-12(15-9)14-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyYUITZIUCHWNILN-UHFFFAOYSA-N
MW299.49 g/mol
LogP4.34
Rot. Bonds6

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

4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82423315) has the molecular formula C12H17N3S3 and a molecular weight of 299.49 g/mol. Its IUPAC name is 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82423315
Molecular FormulaC12H17N3S3
Molecular Weight299.49 g/mol
Exact Mass299.06
IUPAC Name4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCSCc1ncc(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C12H17N3S3/c1-4-16-7-11-13-5-10(18-11)9-6-17-12(15-9)14-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyYUITZIUCHWNILN-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423575
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424904
5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423311
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
4-[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82424630
4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 82423315) is 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CCSCc1ncc(-c2csc(NC(C)C)n2)s1.
What is the InChIKey of 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YUITZIUCHWNILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S3/c1-4-16-7-11-13-5-10(18-11)9-6-17-12(15-9)14-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 299.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82423315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).