5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine

C15H27N3OS — CID 107510227

IUPAC5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CCC(C)C)sc1CNC1CC1
InChIInChI=1S/C15H27N3OS/c1-11(2)7-8-18(3)15-17-13(10-19-4)14(20-15)9-16-12-5-6-12/h11-12,16H,5-10H2,1-4H3
InChIKeyILSZLMCUQDRUEC-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.02
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 107510227) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID107510227
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CCC(C)C)sc1CNC1CC1
InChIInChI=1S/C15H27N3OS/c1-11(2)7-8-18(3)15-17-13(10-19-4)14(20-15)9-16-12-5-6-12/h11-12,16H,5-10H2,1-4H3
InChIKeyILSZLMCUQDRUEC-UHFFFAOYSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510728
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767757
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 81064697
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 107509734
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
N'-[4-(methoxymethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510420
N-[[4-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366610
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509678

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 107510227) is 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is COCc1nc(N(C)CCC(C)C)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is ILSZLMCUQDRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11(2)7-8-18(3)15-17-13(10-19-4)14(20-15)9-16-12-5-6-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107510227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).