N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine

C14H15N3S3 — CID 47049269

IUPACN-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1ncc(CN(C)Cc2csc(-c3ccsc3)n2)s1
InChIInChI=1S/C14H15N3S3/c1-10-15-5-13(20-10)7-17(2)6-12-9-19-14(16-12)11-3-4-18-8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHABAYLXWOIFIOS-UHFFFAOYSA-N
MW321.50 g/mol
LogP4.27
Rot. Bonds5

About N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine

N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 47049269) has the molecular formula C14H15N3S3 and a molecular weight of 321.50 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID47049269
Molecular FormulaC14H15N3S3
Molecular Weight321.50 g/mol
Exact Mass321.04
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1ncc(CN(C)Cc2csc(-c3ccsc3)n2)s1
InChIInChI=1S/C14H15N3S3/c1-10-15-5-13(20-10)7-17(2)6-12-9-19-14(16-12)11-3-4-18-8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyHABAYLXWOIFIOS-UHFFFAOYSA-N
XLogP4.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 47049269) is N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine is Cc1ncc(CN(C)Cc2csc(-c3ccsc3)n2)s1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is HABAYLXWOIFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S3/c1-10-15-5-13(20-10)7-17(2)6-12-9-19-14(16-12)11-3-4-18-8-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 321.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47049269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).