N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide

C14H19N3O4S — CID 121303190

IUPACN-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESCC1CCCN1C(=O)c1csc(C(=O)NCC2(O)COC2)n1
InChIInChI=1S/C14H19N3O4S/c1-9-3-2-4-17(9)13(19)10-5-22-12(16-10)11(18)15-6-14(20)7-21-8-14/h5,9,20H,2-4,6-8H2,1H3,(H,15,18)
InChIKeyYKMXCGBMVDNOIS-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.26
Rot. Bonds4

About N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide

N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide (PubChem CID 121303190) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
PubChem CID121303190
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESCC1CCCN1C(=O)c1csc(C(=O)NCC2(O)COC2)n1
InChIInChI=1S/C14H19N3O4S/c1-9-3-2-4-17(9)13(19)10-5-22-12(16-10)11(18)15-6-14(20)7-21-8-14/h5,9,20H,2-4,6-8H2,1H3,(H,15,18)
InChIKeyYKMXCGBMVDNOIS-UHFFFAOYSA-N
XLogP0.26
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide (CID 121303190) is N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide is CC1CCCN1C(=O)c1csc(C(=O)NCC2(O)COC2)n1.
What is the InChIKey of N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The InChIKey is YKMXCGBMVDNOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-3-2-4-17(9)13(19)10-5-22-12(16-10)11(18)15-6-14(20)7-21-8-14/h5,9,20H,2-4,6-8H2,1H3,(H,15,18).
What are the key properties of N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxetan-3-yl)methyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).