[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol

C11H12N2OS — CID 116966914

IUPAC[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
SMILESOCC1(c2nc(-c3cc[nH]c3)cs2)CC1
InChIInChI=1S/C11H12N2OS/c14-7-11(2-3-11)10-13-9(6-15-10)8-1-4-12-5-8/h1,4-6,12,14H,2-3,7H2
InChIKeyQHBVMZHXJIDJJB-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds3

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

[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol (PubChem CID 116966914) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
PubChem CID116966914
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
SMILESOCC1(c2nc(-c3cc[nH]c3)cs2)CC1
InChIInChI=1S/C11H12N2OS/c14-7-11(2-3-11)10-13-9(6-15-10)8-1-4-12-5-8/h1,4-6,12,14H,2-3,7H2
InChIKeyQHBVMZHXJIDJJB-UHFFFAOYSA-N
XLogP2.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclobutane-1-carbonitrile
CID 116865556
[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116896017
[1-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropyl]methanol
CID 116966897
3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676
4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967685
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
2-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetic acid
CID 82292777
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966908
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180
[1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclobutyl]methanol
CID 116865623

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol (CID 116966914) is [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol is OCC1(c2nc(-c3cc[nH]c3)cs2)CC1.
What is the InChIKey of [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
The InChIKey is QHBVMZHXJIDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-7-11(2-3-11)10-13-9(6-15-10)8-1-4-12-5-8/h1,4-6,12,14H,2-3,7H2.
What are the key properties of [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol?
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol has a molecular weight of 220.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116966914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).