[1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol

C13H22N2OS — CID 62272758

IUPAC[1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol
SMILESCc1nc(CN(C)CC2(CO)CCCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-11-14-12(8-17-11)7-15(2)9-13(10-16)5-3-4-6-13/h8,16H,3-7,9-10H2,1-2H3
InChIKeyDLASCWQZMVSUNP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.44
Rot. Bonds5

About [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol

[1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol (PubChem CID 62272758) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol
PubChem CID62272758
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol
SMILESCc1nc(CN(C)CC2(CO)CCCC2)cs1
InChIInChI=1S/C13H22N2OS/c1-11-14-12(8-17-11)7-15(2)9-13(10-16)5-3-4-6-13/h8,16H,3-7,9-10H2,1-2H3
InChIKeyDLASCWQZMVSUNP-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol (CID 62272758) is [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol is Cc1nc(CN(C)CC2(CO)CCCC2)cs1.
What is the InChIKey of [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol?
The InChIKey is DLASCWQZMVSUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-14-12(8-17-11)7-15(2)9-13(10-16)5-3-4-6-13/h8,16H,3-7,9-10H2,1-2H3.
What are the key properties of [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol?
[1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62272758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).