N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide

C18H16N4OS — CID 51647219

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCSc2ccccc21)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H16N4OS/c23-18(13-5-6-17(20-11-13)22-9-8-19-12-22)21-15-7-10-24-16-4-2-1-3-14(15)16/h1-6,8-9,11-12,15H,7,10H2,(H,21,23)/t15-/m0/s1
InChIKeyLMLVLCRYWKHSOE-HNNXBMFYSA-N
MW336.42 g/mol
LogP3.23
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 51647219) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID51647219
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCSc2ccccc21)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H16N4OS/c23-18(13-5-6-17(20-11-13)22-9-8-19-12-22)21-15-7-10-24-16-4-2-1-3-14(15)16/h1-6,8-9,11-12,15H,7,10H2,(H,21,23)/t15-/m0/s1
InChIKeyLMLVLCRYWKHSOE-HNNXBMFYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(imidazol-1-ylmethyl)benzamide
CID 122157429
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
CID 61292904
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 95156658
N-(benzhydrylideneamino)-6-imidazol-1-ylpyridine-3-carboxamide
CID 24665445
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
CID 158320192
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 39546539

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 51647219) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide is O=C(N[C@H]1CCSc2ccccc21)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is LMLVLCRYWKHSOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-18(13-5-6-17(20-11-13)22-9-8-19-12-22)21-15-7-10-24-16-4-2-1-3-14(15)16/h1-6,8-9,11-12,15H,7,10H2,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 51647219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).