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

C14H27N3OS — CID 55117323

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1nc(C)c(CNC(C)C)s1)C(C)COC
InChIInChI=1S/C14H27N3OS/c1-7-17(11(4)9-18-6)14-16-12(5)13(19-14)8-15-10(2)3/h10-11,15H,7-9H2,1-6H3
InChIKeyGEZUDXQNFHLNQV-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.81
Rot. Bonds8

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

N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 55117323) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID55117323
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(c1nc(C)c(CNC(C)C)s1)C(C)COC
InChIInChI=1S/C14H27N3OS/c1-7-17(11(4)9-18-6)14-16-12(5)13(19-14)8-15-10(2)3/h10-11,15H,7-9H2,1-6H3
InChIKeyGEZUDXQNFHLNQV-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 55117323) is N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCN(c1nc(C)c(CNC(C)C)s1)C(C)COC.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is GEZUDXQNFHLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-7-17(11(4)9-18-6)14-16-12(5)13(19-14)8-15-10(2)3/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 285.46 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55117323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).