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

C15H29N3OS — CID 107509659

IUPACN-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(c1nc(COC)c(CNCC(C)C)s1)C(C)C
InChIInChI=1S/C15H29N3OS/c1-7-18(12(4)5)15-17-13(10-19-6)14(20-15)9-16-8-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyKYSXLBJCOKBSKA-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.27
Rot. Bonds9

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

N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 107509659) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID107509659
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(c1nc(COC)c(CNCC(C)C)s1)C(C)C
InChIInChI=1S/C15H29N3OS/c1-7-18(12(4)5)15-17-13(10-19-6)14(20-15)9-16-8-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyKYSXLBJCOKBSKA-UHFFFAOYSA-N
XLogP3.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 107509659) is N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine is CCN(c1nc(COC)c(CNCC(C)C)s1)C(C)C.
What is the InChIKey of N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KYSXLBJCOKBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-7-18(12(4)5)15-17-13(10-19-6)14(20-15)9-16-8-11(2)3/h11-12,16H,7-10H2,1-6H3.
What are the key properties of N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine?
N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 107509659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).