5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

C14H23N5OS — CID 107510180

IUPAC5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)Cc2cnn(C)c2)nc1COC
InChIInChI=1S/C14H23N5OS/c1-5-15-7-13-12(10-20-4)17-14(21-13)18(2)8-11-6-16-19(3)9-11/h6,9,15H,5,7-8,10H2,1-4H3
InChIKeyUAWXUUAOUNVADE-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.77
Rot. Bonds8

About 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 107510180) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID107510180
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)Cc2cnn(C)c2)nc1COC
InChIInChI=1S/C14H23N5OS/c1-5-15-7-13-12(10-20-4)17-14(21-13)18(2)8-11-6-16-19(3)9-11/h6,9,15H,5,7-8,10H2,1-4H3
InChIKeyUAWXUUAOUNVADE-UHFFFAOYSA-N
XLogP1.77
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 107509768
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 107509926
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 107379754
N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107510450
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510170
5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697376
[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511017
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
N-[[4-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366221

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 107510180) is 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is CCNCc1sc(N(C)Cc2cnn(C)c2)nc1COC.
What is the InChIKey of 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UAWXUUAOUNVADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-5-15-7-13-12(10-20-4)17-14(21-13)18(2)8-11-6-16-19(3)9-11/h6,9,15H,5,7-8,10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107510180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).