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

C12H18N2OS — CID 64522290

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(CC2CC2)C2CC2)s1
InChIInChI=1S/C12H18N2OS/c1-8(15)11-6-13-12(16-11)14(10-4-5-10)7-9-2-3-9/h6,8-10,15H,2-5,7H2,1H3
InChIKeyCUXKJYYBVIRLET-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.58
Rot. Bonds5

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

1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 64522290) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID64522290
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(CC2CC2)C2CC2)s1
InChIInChI=1S/C12H18N2OS/c1-8(15)11-6-13-12(16-11)14(10-4-5-10)7-9-2-3-9/h6,8-10,15H,2-5,7H2,1H3
InChIKeyCUXKJYYBVIRLET-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 64522290) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(CC2CC2)C2CC2)s1.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is CUXKJYYBVIRLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(15)11-6-13-12(16-11)14(10-4-5-10)7-9-2-3-9/h6,8-10,15H,2-5,7H2,1H3.
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 238.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 64522290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).