N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide

C16H17N5O2S — CID 91790625

IUPACN-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)Cc1cc(-c2ccccn2)no1
InChIInChI=1S/C16H17N5O2S/c1-3-6-13-15(24-20-18-13)16(22)21(2)10-11-9-14(19-23-11)12-7-4-5-8-17-12/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyKYJHRMOSIILCRS-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide

N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 91790625) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
PubChem CID91790625
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)Cc1cc(-c2ccccn2)no1
InChIInChI=1S/C16H17N5O2S/c1-3-6-13-15(24-20-18-13)16(22)21(2)10-11-9-14(19-23-11)12-7-4-5-8-17-12/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyKYJHRMOSIILCRS-UHFFFAOYSA-N
XLogP2.81
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 72863128
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65205282
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
CID 137255549
7-fluoro-N,2-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70783263
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 72940275
N-methyl-3-morpholin-4-yl-5-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 135108657
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146038741
N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65206447
2-(5-amino-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 90649169
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 100752197

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide (CID 91790625) is N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(C)Cc1cc(-c2ccccn2)no1.
What is the InChIKey of N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is KYJHRMOSIILCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-6-13-15(24-20-18-13)16(22)21(2)10-11-9-14(19-23-11)12-7-4-5-8-17-12/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide?
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 91790625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).