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

C14H23N3OS2 — CID 107509734

IUPAC5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)C2CCSC2)sc1CNC1CC1
InChIInChI=1S/C14H23N3OS2/c1-17(11-5-6-19-9-11)14-16-12(8-18-2)13(20-14)7-15-10-3-4-10/h10-11,15H,3-9H2,1-2H3
InChIKeyKUQWYPVRTVLPJO-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.48
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 107509734) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID107509734
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)C2CCSC2)sc1CNC1CC1
InChIInChI=1S/C14H23N3OS2/c1-17(11-5-6-19-9-11)14-16-12(8-18-2)13(20-14)7-15-10-3-4-10/h10-11,15H,3-9H2,1-2H3
InChIKeyKUQWYPVRTVLPJO-UHFFFAOYSA-N
XLogP2.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510728
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 107510227
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
5-(aminomethyl)-4-ethyl-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62769176
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62766659
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 107509926
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 107510654
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768575

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 107509734) is 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is COCc1nc(N(C)C2CCSC2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is KUQWYPVRTVLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-17(11-5-6-19-9-11)14-16-12(8-18-2)13(20-14)7-15-10-3-4-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 313.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).