5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

C13H18N4S — CID 62766662

IUPAC5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCN(Cc1ccncc1)c1nc(C)c(CN)s1
InChIInChI=1S/C13H18N4S/c1-3-17(9-11-4-6-15-7-5-11)13-16-10(2)12(8-14)18-13/h4-7H,3,8-9,14H2,1-2H3
InChIKeyQORIWHXXATUHQH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.33
Rot. Bonds5

About 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62766662) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62766662
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCCN(Cc1ccncc1)c1nc(C)c(CN)s1
InChIInChI=1S/C13H18N4S/c1-3-17(9-11-4-6-15-7-5-11)13-16-10(2)12(8-14)18-13/h4-7H,3,8-9,14H2,1-2H3
InChIKeyQORIWHXXATUHQH-UHFFFAOYSA-N
XLogP2.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62753060
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62750354
[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778496
N,N,4-trimethyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 86815156
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767766
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 61447677
2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977281
N,N,4-trimethyl-5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-amine
CID 86815164
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55113031
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine (CID 62766662) is 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is CCN(Cc1ccncc1)c1nc(C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is QORIWHXXATUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-17(9-11-4-6-15-7-5-11)13-16-10(2)12(8-14)18-13/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).