N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C16H31N3OS — CID 107509731

IUPACN-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(COC)c(CNCC(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-7-13(5)19(8-2)16-18-14(11-20-6)15(21-16)10-17-9-12(3)4/h12-13,17H,7-11H2,1-6H3
InChIKeyWYHCFWWIUALGLO-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.66
Rot. Bonds10

About N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 107509731) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID107509731
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC NameN-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(COC)c(CNCC(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-7-13(5)19(8-2)16-18-14(11-20-6)15(21-16)10-17-9-12(3)4/h12-13,17H,7-11H2,1-6H3
InChIKeyWYHCFWWIUALGLO-UHFFFAOYSA-N
XLogP3.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 107509731) is N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CCC(C)N(CC)c1nc(COC)c(CNCC(C)C)s1.
What is the InChIKey of N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is WYHCFWWIUALGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-7-13(5)19(8-2)16-18-14(11-20-6)15(21-16)10-17-9-12(3)4/h12-13,17H,7-11H2,1-6H3.
What are the key properties of N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107509731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).