N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C15H21N3OS2 — CID 107510098

IUPACN-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(Cc2ccsc2)C2CC2)nc1COC
InChIInChI=1S/C15H21N3OS2/c1-16-7-14-13(9-19-2)17-15(21-14)18(12-3-4-12)8-11-5-6-20-10-11/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyHZXYSUIXYZEUGT-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.24
Rot. Bonds8

About N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 107510098) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID107510098
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC NameN-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(Cc2ccsc2)C2CC2)nc1COC
InChIInChI=1S/C15H21N3OS2/c1-16-7-14-13(9-19-2)17-15(21-14)18(12-3-4-12)8-11-5-6-20-10-11/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyHZXYSUIXYZEUGT-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509030
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509708
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510022
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 83185445
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754275
N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106906235
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 107510098) is N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is CNCc1sc(N(Cc2ccsc2)C2CC2)nc1COC.
What is the InChIKey of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HZXYSUIXYZEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-16-7-14-13(9-19-2)17-15(21-14)18(12-3-4-12)8-11-5-6-20-10-11/h5-6,10,12,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 323.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107510098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).