cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol

C14H18N2OS — CID 79103537

IUPACcyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
SMILESCc1ncsc1CCn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C14H18N2OS/c1-10-13(18-9-15-10)5-7-16-6-4-12(8-16)14(17)11-2-3-11/h4,6,8-9,11,14,17H,2-3,5,7H2,1H3
InChIKeyYVRRMUCBXBMCDM-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.94
Rot. Bonds5

About cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol

cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol (PubChem CID 79103537) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
PubChem CID79103537
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Namecyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
SMILESCc1ncsc1CCn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C14H18N2OS/c1-10-13(18-9-15-10)5-7-16-6-4-12(8-16)14(17)11-2-3-11/h4,6,8-9,11,14,17H,2-3,5,7H2,1H3
InChIKeyYVRRMUCBXBMCDM-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol (CID 79103537) is cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol is Cc1ncsc1CCn1ccc(C(O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
The InChIKey is YVRRMUCBXBMCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-13(18-9-15-10)5-7-16-6-4-12(8-16)14(17)11-2-3-11/h4,6,8-9,11,14,17H,2-3,5,7H2,1H3.
What are the key properties of cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 79103537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).