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

C17H29N3S — CID 82427463

IUPACN-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCc1nc(CN2CCCCC2C)sc1CNC1CCCC1
InChIInChI=1S/C17H29N3S/c1-13-7-5-6-10-20(13)12-17-19-14(2)16(21-17)11-18-15-8-3-4-9-15/h13,15,18H,3-12H2,1-2H3
InChIKeyOSOQZIVOGHIMIV-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.86
Rot. Bonds5

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

N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine (PubChem CID 82427463) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
PubChem CID82427463
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
SMILESCc1nc(CN2CCCCC2C)sc1CNC1CCCC1
InChIInChI=1S/C17H29N3S/c1-13-7-5-6-10-20(13)12-17-19-14(2)16(21-17)11-18-15-8-3-4-9-15/h13,15,18H,3-12H2,1-2H3
InChIKeyOSOQZIVOGHIMIV-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427431
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
N-[[4-(methoxymethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441505
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 64539096
2-[4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437627
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432970

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine (CID 82427463) is N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine is Cc1nc(CN2CCCCC2C)sc1CNC1CCCC1.
What is the InChIKey of N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is OSOQZIVOGHIMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13-7-5-6-10-20(13)12-17-19-14(2)16(21-17)11-18-15-8-3-4-9-15/h13,15,18H,3-12H2,1-2H3.
What are the key properties of N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine?
N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 307.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 82427463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).