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

C14H16N4S2 — CID 34153929

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H16N4S2/c1-17(6-11-5-15-18(2)7-11)8-13-10-20-14(16-13)12-3-4-19-9-12/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyNMKIJEXCPZFKJK-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.24
Rot. Bonds5

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

N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 34153929) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID34153929
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H16N4S2/c1-17(6-11-5-15-18(2)7-11)8-13-10-20-14(16-13)12-3-4-19-9-12/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyNMKIJEXCPZFKJK-UHFFFAOYSA-N
XLogP3.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 34153929) is N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine is CN(Cc1cnn(C)c1)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is NMKIJEXCPZFKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-17(6-11-5-15-18(2)7-11)8-13-10-20-14(16-13)12-3-4-19-9-12/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 304.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 34153929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).