4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine

C15H27N3OS — CID 79352826

IUPAC4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H27N3OS/c1-14(2)11(15(14,3)4)9-16-8-10-12(19-7)17-13(20-10)18(5)6/h11,16H,8-9H2,1-7H3
InChIKeyREDXTJQCHJZMKE-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.99
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 79352826) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID79352826
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H27N3OS/c1-14(2)11(15(14,3)4)9-16-8-10-12(19-7)17-13(20-10)18(5)6/h11,16H,8-9H2,1-7H3
InChIKeyREDXTJQCHJZMKE-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine (CID 79352826) is 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCC1C(C)(C)C1(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is REDXTJQCHJZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-14(2)11(15(14,3)4)9-16-8-10-12(19-7)17-13(20-10)18(5)6/h11,16H,8-9H2,1-7H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79352826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).