2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol

C12H21N3OS — CID 79772514

IUPAC2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESCCCNc1ncc(CN(CCO)C2CC2)s1
InChIInChI=1S/C12H21N3OS/c1-2-5-13-12-14-8-11(17-12)9-15(6-7-16)10-3-4-10/h8,10,16H,2-7,9H2,1H3,(H,13,14)
InChIKeyNIIACMKRASEZPV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.92
Rot. Bonds8

About 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol

2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol (PubChem CID 79772514) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
PubChem CID79772514
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESCCCNc1ncc(CN(CCO)C2CC2)s1
InChIInChI=1S/C12H21N3OS/c1-2-5-13-12-14-8-11(17-12)9-15(6-7-16)10-3-4-10/h8,10,16H,2-7,9H2,1H3,(H,13,14)
InChIKeyNIIACMKRASEZPV-UHFFFAOYSA-N
XLogP1.92
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol (CID 79772514) is 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol is CCCNc1ncc(CN(CCO)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The InChIKey is NIIACMKRASEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-5-13-12-14-8-11(17-12)9-15(6-7-16)10-3-4-10/h8,10,16H,2-7,9H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol has a molecular weight of 255.39 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol is sourced from PubChem (CID 79772514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).