1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide

C17H23N3O3S — CID 91779011

IUPAC1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(C)n1C
InChIInChI=1S/C17H23N3O3S/c1-11-6-14(12(2)20(11)3)17(21)19-15-8-22-5-4-16(15)23-7-13-9-24-10-18-13/h6,9-10,15-16H,4-5,7-8H2,1-3H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyFGESJWCWZIWNQQ-CVEARBPZSA-N
MW349.46 g/mol
LogP2.20
Rot. Bonds5

About 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide

1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide (PubChem CID 91779011) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
PubChem CID91779011
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(C)n1C
InChIInChI=1S/C17H23N3O3S/c1-11-6-14(12(2)20(11)3)17(21)19-15-8-22-5-4-16(15)23-7-13-9-24-10-18-13/h6,9-10,15-16H,4-5,7-8H2,1-3H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyFGESJWCWZIWNQQ-CVEARBPZSA-N
XLogP2.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide
CID 91788245
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91769713
5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
CID 91779561
1-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-2-carboxamide
CID 91795007
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91794603
2-(4-oxo-1-pyridinyl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91788892
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
3-amino-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-thiazole-4-carboxamide
CID 91762940
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
CID 91795550
(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
CID 91765709
N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-3-thiophen-3-ylpropanamide
CID 91788550

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide (CID 91779011) is 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide?
The InChIKey is FGESJWCWZIWNQQ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-6-14(12(2)20(11)3)17(21)19-15-8-22-5-4-16(15)23-7-13-9-24-10-18-13/h6,9-10,15-16H,4-5,7-8H2,1-3H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide?
1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 91779011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).