1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol

C13H20N2OS — CID 64542378

IUPAC1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C13H20N2OS/c1-9(16)12-8-17-13(14-12)15(6-10-2-3-10)7-11-4-5-11/h8-11,16H,2-7H2,1H3
InChIKeyFNGCIWOUSRURLP-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.82
Rot. Bonds6

About 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol

1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol (PubChem CID 64542378) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol
PubChem CID64542378
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N(CC2CC2)CC2CC2)n1
InChIInChI=1S/C13H20N2OS/c1-9(16)12-8-17-13(14-12)15(6-10-2-3-10)7-11-4-5-11/h8-11,16H,2-7H2,1H3
InChIKeyFNGCIWOUSRURLP-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol (CID 64542378) is 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(N(CC2CC2)CC2CC2)n1.
What is the InChIKey of 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is FNGCIWOUSRURLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(16)12-8-17-13(14-12)15(6-10-2-3-10)7-11-4-5-11/h8-11,16H,2-7H2,1H3.
What are the key properties of 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol?
1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 252.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64542378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).