[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol

C15H20N4OS — CID 103359939

IUPAC[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nsc(NCC2CCCC2CO)c1-c1cccnc1
InChIInChI=1S/C15H20N4OS/c16-14-13(11-5-2-6-17-7-11)15(21-19-14)18-8-10-3-1-4-12(10)9-20/h2,5-7,10,12,18,20H,1,3-4,8-9H2,(H2,16,19)
InChIKeyICEGLQHXICJFKQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.61
Rot. Bonds5

About [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol

[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 103359939) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID103359939
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1nsc(NCC2CCCC2CO)c1-c1cccnc1
InChIInChI=1S/C15H20N4OS/c16-14-13(11-5-2-6-17-7-11)15(21-19-14)18-8-10-3-1-4-12(10)9-20/h2,5-7,10,12,18,20H,1,3-4,8-9H2,(H2,16,19)
InChIKeyICEGLQHXICJFKQ-UHFFFAOYSA-N
XLogP2.61
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 103359939) is [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol is Nc1nsc(NCC2CCCC2CO)c1-c1cccnc1.
What is the InChIKey of [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is ICEGLQHXICJFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-14-13(11-5-2-6-17-7-11)15(21-19-14)18-8-10-3-1-4-12(10)9-20/h2,5-7,10,12,18,20H,1,3-4,8-9H2,(H2,16,19).
What are the key properties of [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 304.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103359939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).