N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C15H15N3S2 — CID 655211

IUPACN-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1
InChIInChI=1S/C15H15N3S2/c1-10-14(20-11(2)17-10)13-9-19-15(18-13)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyNNJQVTFINZWWKM-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.50
Rot. Bonds4

About N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 655211) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID655211
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC NameN-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1
InChIInChI=1S/C15H15N3S2/c1-10-14(20-11(2)17-10)13-9-19-15(18-13)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyNNJQVTFINZWWKM-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 655211) is N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1.
What is the InChIKey of N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is NNJQVTFINZWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-10-14(20-11(2)17-10)13-9-19-15(18-13)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 301.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 655211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).