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

C15H20N2OS — CID 79103726

IUPACcyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
SMILESCCCc1nc(Cn2ccc(C(O)C3CC3)c2)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-14-16-13(10-19-14)9-17-7-6-12(8-17)15(18)11-4-5-11/h6-8,10-11,15,18H,2-5,9H2,1H3
InChIKeyXJZPZDIRMOEUAQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.39
Rot. Bonds6

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

cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 79103726) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
PubChem CID79103726
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Namecyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
SMILESCCCc1nc(Cn2ccc(C(O)C3CC3)c2)cs1
InChIInChI=1S/C15H20N2OS/c1-2-3-14-16-13(10-19-14)9-17-7-6-12(8-17)15(18)11-4-5-11/h6-8,10-11,15,18H,2-5,9H2,1H3
InChIKeyXJZPZDIRMOEUAQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79098248
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108454
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone
CID 79096916
cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103901
cyclopropyl-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103461
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
cyclopropyl-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]methanol
CID 79103550
cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
CID 79103537
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol (CID 79103726) is cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol is CCCc1nc(Cn2ccc(C(O)C3CC3)c2)cs1.
What is the InChIKey of cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is XJZPZDIRMOEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-3-14-16-13(10-19-14)9-17-7-6-12(8-17)15(18)11-4-5-11/h6-8,10-11,15,18H,2-5,9H2,1H3.
What are the key properties of cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 276.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 79103726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).