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

C15H27N3OS — CID 79392792

IUPAC5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCC(C)N(C)c1nc(C(C)C)c(CNC2CC2)s1
InChIInChI=1S/C15H27N3OS/c1-10(2)14-13(8-16-12-6-7-12)20-15(17-14)18(4)11(3)9-19-5/h10-12,16H,6-9H2,1-5H3
InChIKeyJCGPXWGCHBHPGR-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.99
Rot. Bonds8

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

5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79392792) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79392792
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCOCC(C)N(C)c1nc(C(C)C)c(CNC2CC2)s1
InChIInChI=1S/C15H27N3OS/c1-10(2)14-13(8-16-12-6-7-12)20-15(17-14)18(4)11(3)9-19-5/h10-12,16H,6-9H2,1-5H3
InChIKeyJCGPXWGCHBHPGR-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395527
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79381983
5-[(cyclopropylamino)methyl]-N-methyl-4-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79383339
5-[(cyclopropylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393302
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 107510227
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 79392792) is 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is COCC(C)N(C)c1nc(C(C)C)c(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is JCGPXWGCHBHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-10(2)14-13(8-16-12-6-7-12)20-15(17-14)18(4)11(3)9-19-5/h10-12,16H,6-9H2,1-5H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79392792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).