5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine

C16H31N3S — CID 79489574

IUPAC5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC(C)C)C(CC)CC)nc1C
InChIInChI=1S/C16H31N3S/c1-7-14(8-2)19(11-12(4)5)16-18-13(6)15(20-16)10-17-9-3/h12,14,17H,7-11H2,1-6H3
InChIKeyOJAMQHAJWYRRQP-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.21
Rot. Bonds9

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

5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 79489574) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID79489574
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC(C)C)C(CC)CC)nc1C
InChIInChI=1S/C16H31N3S/c1-7-14(8-2)19(11-12(4)5)16-18-13(6)15(20-16)10-17-9-3/h12,14,17H,7-11H2,1-6H3
InChIKeyOJAMQHAJWYRRQP-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79488830
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 112666477
5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769288
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N,4-diethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766538
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767389
N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 55112610
6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
CID 79488795
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine (CID 79489574) is 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine is CCNCc1sc(N(CC(C)C)C(CC)CC)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is OJAMQHAJWYRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-7-14(8-2)19(11-12(4)5)16-18-13(6)15(20-16)10-17-9-3/h12,14,17H,7-11H2,1-6H3.
What are the key properties of 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79489574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).