N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine

C12H23N3S — CID 83143401

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1csc(CN)n1)C(C)(C)C
InChIInChI=1S/C12H23N3S/c1-9(12(2,3)4)6-14-7-10-8-16-11(5-13)15-10/h8-9,14H,5-7,13H2,1-4H3
InChIKeyVMBCXXXNAFXRLA-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 83143401) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine
PubChem CID83143401
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1csc(CN)n1)C(C)(C)C
InChIInChI=1S/C12H23N3S/c1-9(12(2,3)4)6-14-7-10-8-16-11(5-13)15-10/h8-9,14H,5-7,13H2,1-4H3
InChIKeyVMBCXXXNAFXRLA-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
CID 102609934
[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
CID 66378687
N-[[4-(2-aminoethyl)phenyl]methyl]-2,3,3-trimethylbutan-1-amine
CID 83143292
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592463
2,3,3-trimethyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 78966606
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine
CID 66380056
4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 115656786
2-(aminomethyl)-N-methyl-1,3-thiazol-4-amine
CID 67482223

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine (CID 83143401) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine is CC(CNCc1csc(CN)n1)C(C)(C)C.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is VMBCXXXNAFXRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-9(12(2,3)4)6-14-7-10-8-16-11(5-13)15-10/h8-9,14H,5-7,13H2,1-4H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83143401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).