5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine

C12H23N3S — CID 62764857

IUPAC5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
SMILESCCCCN(CC)c1nc(CC)c(CN)s1
InChIInChI=1S/C12H23N3S/c1-4-7-8-15(6-3)12-14-10(5-2)11(9-13)16-12/h4-9,13H2,1-3H3
InChIKeyUDVRPKCPSIDUIS-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.79
Rot. Bonds7

About 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine (PubChem CID 62764857) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
PubChem CID62764857
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
SMILESCCCCN(CC)c1nc(CC)c(CN)s1
InChIInChI=1S/C12H23N3S/c1-4-7-8-15(6-3)12-14-10(5-2)11(9-13)16-12/h4-9,13H2,1-3H3
InChIKeyUDVRPKCPSIDUIS-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480965
5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768024
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
CID 62767526
2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765926
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286
5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
CID 107510117
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 55162652

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine (CID 62764857) is 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine is CCCCN(CC)c1nc(CC)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine?
The InChIKey is UDVRPKCPSIDUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-7-8-15(6-3)12-14-10(5-2)11(9-13)16-12/h4-9,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62764857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).