N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine

C14H27N3S — CID 63966979

IUPACN,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)Cc1csc(CNC(C)C)n1
InChIInChI=1S/C14H27N3S/c1-7-14(4,5)17(6)9-12-10-18-13(16-12)8-15-11(2)3/h10-11,15H,7-9H2,1-6H3
InChIKeyAHUWZAHVQTZKAB-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.26
Rot. Bonds7

About N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine

N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine (PubChem CID 63966979) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
PubChem CID63966979
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)Cc1csc(CNC(C)C)n1
InChIInChI=1S/C14H27N3S/c1-7-14(4,5)17(6)9-12-10-18-13(16-12)8-15-11(2)3/h10-11,15H,7-9H2,1-6H3
InChIKeyAHUWZAHVQTZKAB-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine with MolForge

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]pentan-2-amine
CID 62434002
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026
N-[[4-(2-methylbutan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62457385
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965544
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62456588
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 81067747
N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62412531
N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2-dimethylbutan-1-amine
CID 62421494
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62463135

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine (CID 63966979) is N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine is CCC(C)(C)N(C)Cc1csc(CNC(C)C)n1.
What is the InChIKey of N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine?
The InChIKey is AHUWZAHVQTZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-14(4,5)17(6)9-12-10-18-13(16-12)8-15-11(2)3/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine?
N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 63966979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).