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

C17H29N3S — CID 82435281

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCCN(Cc2nc(C(C)C)c(CNC3CC3)s2)C1
InChIInChI=1S/C17H29N3S/c1-12(2)17-15(9-18-14-6-7-14)21-16(19-17)11-20-8-4-5-13(3)10-20/h12-14,18H,4-11H2,1-3H3
InChIKeyBNWKITCPASEDKT-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.75
Rot. Bonds6

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

N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82435281) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82435281
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCCN(Cc2nc(C(C)C)c(CNC3CC3)s2)C1
InChIInChI=1S/C17H29N3S/c1-12(2)17-15(9-18-14-6-7-14)21-16(19-17)11-20-8-4-5-13(3)10-20/h12-14,18H,4-11H2,1-3H3
InChIKeyBNWKITCPASEDKT-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427485
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427431
N-[[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82435229
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82434388

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82435281) is N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1CCCN(Cc2nc(C(C)C)c(CNC3CC3)s2)C1.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is BNWKITCPASEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-12(2)17-15(9-18-14-6-7-14)21-16(19-17)11-20-8-4-5-13(3)10-20/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 307.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82435281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).