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

C15H16N4O3S — CID 91765856

IUPAC4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1
InChIInChI=1S/C15H16N4O3S/c16-4-10-3-13(17-5-10)15(20)19-12-1-2-21-7-14(12)22-6-11-8-23-9-18-11/h3,5,8-9,12,14,17H,1-2,6-7H2,(H,19,20)/t12-,14-/m1/s1
InChIKeyNMOSKONMFOXMKY-TZMCWYRMSA-N
MW332.39 g/mol
LogP1.45
Rot. Bonds5

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

4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 91765856) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID91765856
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1
InChIInChI=1S/C15H16N4O3S/c16-4-10-3-13(17-5-10)15(20)19-12-1-2-21-7-14(12)22-6-11-8-23-9-18-11/h3,5,8-9,12,14,17H,1-2,6-7H2,(H,19,20)/t12-,14-/m1/s1
InChIKeyNMOSKONMFOXMKY-TZMCWYRMSA-N
XLogP1.45
TPSA100.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91794482
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
CID 91797119
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986
3-amino-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-thiazole-4-carboxamide
CID 91762940
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
CID 91795550
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91759736
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
CID 91789371
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile
CID 91796778
5-cyclopropyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-pyrazole-3-carboxamide
CID 91779561
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91774352

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide (CID 91765856) is 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide is N#Cc1c[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1.
What is the InChIKey of 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is NMOSKONMFOXMKY-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H16N4O3S/c16-4-10-3-13(17-5-10)15(20)19-12-1-2-21-7-14(12)22-6-11-8-23-9-18-11/h3,5,8-9,12,14,17H,1-2,6-7H2,(H,19,20)/t12-,14-/m1/s1.
What are the key properties of 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91765856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).