N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine

C13H13N3S2 — CID 79391335

IUPACN,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2ccc(C)cc2s1
InChIInChI=1S/C13H13N3S2/c1-7-4-5-9-10(6-7)17-13(15-9)11-8(2)16-18-12(11)14-3/h4-6,14H,1-3H3
InChIKeyUPLYFDNXNIWYEY-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.08
Rot. Bonds2

About N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine

N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine (PubChem CID 79391335) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine
PubChem CID79391335
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2ccc(C)cc2s1
InChIInChI=1S/C13H13N3S2/c1-7-4-5-9-10(6-7)17-13(15-9)11-8(2)16-18-12(11)14-3/h4-6,14H,1-3H3
InChIKeyUPLYFDNXNIWYEY-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine?
The IUPAC name of N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine (CID 79391335) is N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine?
The canonical SMILES for N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc2ccc(C)cc2s1.
What is the InChIKey of N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine?
The InChIKey is UPLYFDNXNIWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-7-4-5-9-10(6-7)17-13(15-9)11-8(2)16-18-12(11)14-3/h4-6,14H,1-3H3.
What are the key properties of N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine?
N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 79391335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).