N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide

C13H19N5OS — CID 122568165

IUPACN-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C13H19N5OS/c1-4-5-10-12(20-17-16-10)13(19)15-8-11-14-6-7-18(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyMNAYNNJLMBXHTJ-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.20
Rot. Bonds6

About N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide

N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 122568165) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID122568165
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C13H19N5OS/c1-4-5-10-12(20-17-16-10)13(19)15-8-11-14-6-7-18(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyMNAYNNJLMBXHTJ-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53609240
(4-Ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779782
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 91628969
4-propyl-N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71808203
(4-((2-ethyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 56724023
4-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129005573
4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329984
4-ethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329985
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide
CID 133911063
N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 52992835
N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-4-ethyl-1,2,3-thiadiazole-5-carboxamide
CID 56867614
(4-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 92112614

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide (CID 122568165) is N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1nccn1C(C)C.
What is the InChIKey of N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is MNAYNNJLMBXHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-5-10-12(20-17-16-10)13(19)15-8-11-14-6-7-18(11)9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 122568165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).