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

C13H16N2OS — CID 79103631

IUPACcyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol
SMILESCc1ncc(Cn2ccc(C(O)C3CC3)c2)s1
InChIInChI=1S/C13H16N2OS/c1-9-14-6-12(17-9)8-15-5-4-11(7-15)13(16)10-2-3-10/h4-7,10,13,16H,2-3,8H2,1H3
InChIKeyBHBVTXVVPKGJPO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.74
Rot. Bonds4

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

cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 79103631) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol
PubChem CID79103631
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Namecyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol
SMILESCc1ncc(Cn2ccc(C(O)C3CC3)c2)s1
InChIInChI=1S/C13H16N2OS/c1-9-14-6-12(17-9)8-15-5-4-11(7-15)13(16)10-2-3-10/h4-7,10,13,16H,2-3,8H2,1H3
InChIKeyBHBVTXVVPKGJPO-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109998
1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]ethanone
CID 79106608
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109742
cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
CID 79103537
cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103726
cyclopropyl-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]methanol
CID 79103550
cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103901
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372
methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
CID 79104073
cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol
CID 79097340
2-[2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79096843
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol (CID 79103631) is cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol is Cc1ncc(Cn2ccc(C(O)C3CC3)c2)s1.
What is the InChIKey of cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is BHBVTXVVPKGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-14-6-12(17-9)8-15-5-4-11(7-15)13(16)10-2-3-10/h4-7,10,13,16H,2-3,8H2,1H3.
What are the key properties of cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 248.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 79103631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).