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

C13H24N4OS — CID 107510376

IUPAC5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC2CCN(C)C2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-16-5-4-10(7-16)8-17(2)13-15-11(9-18-3)12(6-14)19-13/h10H,4-9,14H2,1-3H3
InChIKeyORSAYBKZMLQAKK-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.14
Rot. Bonds6

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

5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 107510376) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID107510376
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC2CCN(C)C2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-16-5-4-10(7-16)8-17(2)13-15-11(9-18-3)12(6-14)19-13/h10H,4-9,14H2,1-3H3
InChIKeyORSAYBKZMLQAKK-UHFFFAOYSA-N
XLogP1.14
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510374
5-(aminomethyl)-N-(cyclobutylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510290
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509510
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510406
N'-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510417
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510221
[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
CID 63915678
5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62854241
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 107510634
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine (CID 107510376) is 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine is COCc1nc(N(C)CC2CCN(C)C2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ORSAYBKZMLQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-16-5-4-10(7-16)8-17(2)13-15-11(9-18-3)12(6-14)19-13/h10H,4-9,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107510376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).