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

C17H20N4S2 — CID 70748980

IUPACN-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1csc(-c2cccs2)n1)Cc1cnn(C)c1C1CC1
InChIInChI=1S/C17H20N4S2/c1-20(9-13-8-18-21(2)16(13)12-5-6-12)10-14-11-23-17(19-14)15-4-3-7-22-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyWOIZPUZYIGBQEI-UHFFFAOYSA-N
MW344.51 g/mol
LogP4.11
Rot. Bonds6

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

N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 70748980) has the molecular formula C17H20N4S2 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine
PubChem CID70748980
Molecular FormulaC17H20N4S2
Molecular Weight344.51 g/mol
Exact Mass344.11
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1csc(-c2cccs2)n1)Cc1cnn(C)c1C1CC1
InChIInChI=1S/C17H20N4S2/c1-20(9-13-8-18-21(2)16(13)12-5-6-12)10-14-11-23-17(19-14)15-4-3-7-22-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyWOIZPUZYIGBQEI-UHFFFAOYSA-N
XLogP4.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 171913031
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
1-ethyl-4-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
CID 70707566
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 20933897
N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
CID 38392360
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70750792
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 70782274
4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 17454833
(5R)-1-[(2-methylphenyl)methyl]-5-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]azepan-2-one
CID 26333650
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine (CID 70748980) is N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine is CN(Cc1csc(-c2cccs2)n1)Cc1cnn(C)c1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is WOIZPUZYIGBQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S2/c1-20(9-13-8-18-21(2)16(13)12-5-6-12)10-14-11-23-17(19-14)15-4-3-7-22-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine?
N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 344.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 70748980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).