N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C14H27N3S — CID 62750951

IUPACN-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C(C)C(C)C)s1
InChIInChI=1S/C14H27N3S/c1-7-8-15-11(4)13-9-16-14(18-13)17(6)12(5)10(2)3/h9-12,15H,7-8H2,1-6H3
InChIKeyHQAQNFMAWMVADE-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.68
Rot. Bonds7

About N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62750951) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62750951
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C(C)C(C)C)s1
InChIInChI=1S/C14H27N3S/c1-7-8-15-11(4)13-9-16-14(18-13)17(6)12(5)10(2)3/h9-12,15H,7-8H2,1-6H3
InChIKeyHQAQNFMAWMVADE-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112349
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-(cyclobutylmethyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62854238
N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62753039
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62750099
N-ethyl-5-[1-(ethylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750257
N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751974
N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750457
N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750234
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 79311621

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 62750951) is N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1cnc(N(C)C(C)C(C)C)s1.
What is the InChIKey of N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is HQAQNFMAWMVADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-8-15-11(4)13-9-16-14(18-13)17(6)12(5)10(2)3/h9-12,15H,7-8H2,1-6H3.
What are the key properties of N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).