N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H24N4OS — CID 82441911

IUPACN-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(N2CCN(C)CC2)sc1CNC1CC1
InChIInChI=1S/C14H24N4OS/c1-17-5-7-18(8-6-17)14-16-12(10-19-2)13(20-14)9-15-11-3-4-11/h11,15H,3-10H2,1-2H3
InChIKeyAUARMCPKQZAZAA-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.29
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82441911) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82441911
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(N2CCN(C)CC2)sc1CNC1CC1
InChIInChI=1S/C14H24N4OS/c1-17-5-7-18(8-6-17)14-16-12(10-19-2)13(20-14)9-15-11-3-4-11/h11,15H,3-10H2,1-2H3
InChIKeyAUARMCPKQZAZAA-UHFFFAOYSA-N
XLogP1.29
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107510300
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107509532
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509491
1-[2-(4-cyclopropylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510256
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
N-[[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440145
N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82441911) is N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COCc1nc(N2CCN(C)CC2)sc1CNC1CC1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is AUARMCPKQZAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-17-5-7-18(8-6-17)14-16-12(10-19-2)13(20-14)9-15-11-3-4-11/h11,15H,3-10H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 296.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82441911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).