N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

C19H20N6O2S — CID 92634727

IUPACN-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESC[C@H]1CCc2nc(NC(=O)Cn3cc(NC(=O)c4ccccn4)cn3)sc2C1
InChIInChI=1S/C19H20N6O2S/c1-12-5-6-14-16(8-12)28-19(23-14)24-17(26)11-25-10-13(9-21-25)22-18(27)15-4-2-3-7-20-15/h2-4,7,9-10,12H,5-6,8,11H2,1H3,(H,22,27)(H,23,24,26)/t12-/m0/s1
InChIKeyRYDLWUKGLCQDHM-LBPRGKRZSA-N
MW396.48 g/mol
LogP2.75
Rot. Bonds5

About N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 92634727) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID92634727
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESC[C@H]1CCc2nc(NC(=O)Cn3cc(NC(=O)c4ccccn4)cn3)sc2C1
InChIInChI=1S/C19H20N6O2S/c1-12-5-6-14-16(8-12)28-19(23-14)24-17(26)11-25-10-13(9-21-25)22-18(27)15-4-2-3-7-20-15/h2-4,7,9-10,12H,5-6,8,11H2,1H3,(H,22,27)(H,23,24,26)/t12-/m0/s1
InChIKeyRYDLWUKGLCQDHM-LBPRGKRZSA-N
XLogP2.75
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 92634104
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3505849
N-cyclopropyl-2-[4-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoylamino]pyrazol-1-yl]acetamide
CID 167875217
N-(4-fluorophenyl)-1-[2-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635474
3-(benzylcarbamoylamino)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 24586311
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17469606
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945619
6-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17168198
3-(benzenesulfonyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7189633
N-[5-[2-(ethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528577

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 92634727) is N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is C[C@H]1CCc2nc(NC(=O)Cn3cc(NC(=O)c4ccccn4)cn3)sc2C1.
What is the InChIKey of N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is RYDLWUKGLCQDHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12-5-6-14-16(8-12)28-19(23-14)24-17(26)11-25-10-13(9-21-25)22-18(27)15-4-2-3-7-20-15/h2-4,7,9-10,12H,5-6,8,11H2,1H3,(H,22,27)(H,23,24,26)/t12-/m0/s1.
What are the key properties of N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 92634727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).