5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C13H25N3S — CID 79771449

IUPAC5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNC1=NC=C(S1)CN(C)C(C)C(C)C
InChIInChI=1S/C13H25N3S/c1-6-7-14-13-15-8-12(17-13)9-16(5)11(4)10(2)3/h8,10-11H,6-7,9H2,1-5H3,(H,14,15)
InChIKeyDOJKADGBOUTVNV-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.80
Rot. Bonds7

About 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79771449) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79771449
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNC1=NC=C(S1)CN(C)C(C)C(C)C
InChIInChI=1S/C13H25N3S/c1-6-7-14-13-15-8-12(17-13)9-16(5)11(4)10(2)3/h8,10-11H,6-7,9H2,1-5H3,(H,14,15)
InChIKeyDOJKADGBOUTVNV-UHFFFAOYSA-N
XLogP3.80
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
N,5-dimethylthiazol-2-amine
CID 817028
5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 71912730
1,3-diethyl-2-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 99854444
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 139500937
5-(fluoromethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 153485005
5-(aminomethyl)-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
CID 174276405
N-[5-(diethylaminomethyl)-1,3-thiazol-2-yl]acetamide
CID 22170819
N-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 59190850
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
5-[1-(ethylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55111873
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 79771449) is 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNC1=NC=C(S1)CN(C)C(C)C(C)C.
What is the InChIKey of 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is DOJKADGBOUTVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-7-14-13-15-8-12(17-13)9-16(5)11(4)10(2)3/h8,10-11H,6-7,9H2,1-5H3,(H,14,15).
What are the key properties of 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79771449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).