N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C16H31N3S — CID 79392809

IUPACN-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(C)(C)CC)nc1C(C)C
InChIInChI=1S/C16H31N3S/c1-8-10-17-11-13-14(12(3)4)18-15(20-13)19(7)16(5,6)9-2/h12,17H,8-11H2,1-7H3
InChIKeyZUGJTRNYVQDMLL-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.39
Rot. Bonds8

About N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 79392809) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID79392809
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(C)(C)CC)nc1C(C)C
InChIInChI=1S/C16H31N3S/c1-8-10-17-11-13-14(12(3)4)18-15(20-13)19(7)16(5,6)9-2/h12,17H,8-11H2,1-7H3
InChIKeyZUGJTRNYVQDMLL-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79395623
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79382866
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-[[2-(tert-butylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365285
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514965
4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55113095
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-[[2-(ethoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365231
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 79392809) is N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C(C)(C)CC)nc1C(C)C.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is ZUGJTRNYVQDMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-8-10-17-11-13-14(12(3)4)18-15(20-13)19(7)16(5,6)9-2/h12,17H,8-11H2,1-7H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79392809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).