N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide

C15H23N3O3S — CID 91789321

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C15H23N3O3S/c1-2-3-11-14(22-18-17-11)15(19)16-12-9-20-7-6-13(12)21-8-10-4-5-10/h10,12-13H,2-9H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyFSWMCWYJVJOLOX-OLZOCXBDSA-N
MW325.43 g/mol
LogP1.80
Rot. Bonds7

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide (PubChem CID 91789321) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
PubChem CID91789321
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C15H23N3O3S/c1-2-3-11-14(22-18-17-11)15(19)16-12-9-20-7-6-13(12)21-8-10-4-5-10/h10,12-13H,2-9H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyFSWMCWYJVJOLOX-OLZOCXBDSA-N
XLogP1.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 91786638
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91774068
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91765978
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1,3-oxazole-5-carboxamide
CID 91790782
N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
2-amino-N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-6-methylpyrimidine-4-carboxamide
CID 91790443
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 91772759
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide (CID 91789321) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is FSWMCWYJVJOLOX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-11-14(22-18-17-11)15(19)16-12-9-20-7-6-13(12)21-8-10-4-5-10/h10,12-13H,2-9H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 91789321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).