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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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).