N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide

C16H24N4OS — CID 136587876

IUPACN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C16H24N4OS/c1-11(2)9-12(10-20(3)4)18-16(21)15-6-5-14(22-15)13-7-8-17-19-13/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,21)/t12-/m0/s1
InChIKeyMQCBTCWPPOIGSM-LBPRGKRZSA-N
MW320.46 g/mol
LogP2.84
Rot. Bonds7

About N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide

N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 136587876) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
PubChem CID136587876
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
SMILESCC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C16H24N4OS/c1-11(2)9-12(10-20(3)4)18-16(21)15-6-5-14(22-15)13-7-8-17-19-13/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,21)/t12-/m0/s1
InChIKeyMQCBTCWPPOIGSM-LBPRGKRZSA-N
XLogP2.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 57334384
6-cyclobutyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 57334534
(7S)-7-ethyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 57334689
(7R)-7-ethyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 89887060
(7R)-7-methyl-3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 89889447
2-[(2S)-azepan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603202
6-(5-methyl-1H-pyrazol-4-yl)-2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603207
6-(5-methyl-1H-pyrazol-4-yl)-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603409
6-(5-methyl-1H-pyrazol-4-yl)-2-(1-pyrrolidin-1-ylethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603424
2-(1H-pyrazol-5-yl)spiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 70687491
(7R)-3-(cyclopropylmethylsulfanyl)-7-ethyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 127047659
(7R)-7-ethyl-3-propylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 127048109

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide (CID 136587876) is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide is CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is MQCBTCWPPOIGSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-11(2)9-12(10-20(3)4)18-16(21)15-6-5-14(22-15)13-7-8-17-19-13/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide?
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 136587876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).