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

C13H25N3S — CID 79480965

IUPAC5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(C)CC)sc1CN
InChIInChI=1S/C13H25N3S/c1-5-10(4)9-16(7-3)13-15-11(6-2)12(8-14)17-13/h10H,5-9,14H2,1-4H3
InChIKeyQAOUQJONMPITBO-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.04
Rot. Bonds7

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

5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 79480965) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
PubChem CID79480965
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(C)CC)sc1CN
InChIInChI=1S/C13H25N3S/c1-5-10(4)9-16(7-3)13-15-11(6-2)12(8-14)17-13/h10H,5-9,14H2,1-4H3
InChIKeyQAOUQJONMPITBO-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
CID 62764857
N,4-diethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766538
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752
[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778647
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766541
2-N-ethyl-2-N-(2-methylbutyl)-1,3-benzothiazole-2,6-diamine
CID 79478206
5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768024
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62769245
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine (CID 79480965) is 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)CC(C)CC)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is QAOUQJONMPITBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-10(4)9-16(7-3)13-15-11(6-2)12(8-14)17-13/h10H,5-9,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79480965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).