5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine

C16H31N3S — CID 79392937

IUPAC5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)CC(C)C)nc1C(C)C
InChIInChI=1S/C16H31N3S/c1-8-17-10-14-15(12(4)5)18-16(20-14)19(7)13(6)9-11(2)3/h11-13,17H,8-10H2,1-7H3
InChIKeyYMYVQAZUAQWTAC-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.25
Rot. Bonds8

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

5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79392937) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79392937
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C(C)CC(C)C)nc1C(C)C
InChIInChI=1S/C16H31N3S/c1-8-17-10-14-15(12(4)5)18-16(20-14)19(7)13(6)9-11(2)3/h11-13,17H,8-10H2,1-7H3
InChIKeyYMYVQAZUAQWTAC-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395694
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
N-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
4-butan-2-yl-5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 115988003
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 79392937) is 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine is CCNCc1sc(N(C)C(C)CC(C)C)nc1C(C)C.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YMYVQAZUAQWTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-8-17-10-14-15(12(4)5)18-16(20-14)19(7)13(6)9-11(2)3/h11-13,17H,8-10H2,1-7H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79392937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).