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

C17H29N3S — CID 114369520

IUPACN-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(N2CCCCCC2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-13(2)11-15-16(12-18-14-7-8-14)21-17(19-15)20-9-5-3-4-6-10-20/h13-14,18H,3-12H2,1-2H3
InChIKeyMOMQLMASZMARHR-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.97
Rot. Bonds6

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

N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114369520) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114369520
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(N2CCCCCC2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-13(2)11-15-16(12-18-14-7-8-14)21-17(19-15)20-9-5-3-4-6-10-20/h13-14,18H,3-12H2,1-2H3
InChIKeyMOMQLMASZMARHR-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369093
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-amine
CID 96603728
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369417
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
N-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 82473364
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767636

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114369520) is N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)Cc1nc(N2CCCCCC2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is MOMQLMASZMARHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13(2)11-15-16(12-18-14-7-8-14)21-17(19-15)20-9-5-3-4-6-10-20/h13-14,18H,3-12H2,1-2H3.
What are the key properties of N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 307.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114369520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).