4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C17H16N4O3S2 — CID 97185195

IUPAC4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)C[C@@H]3OCCc4ccsc43)n2)c[nH]1
InChIInChI=1S/C17H16N4O3S2/c18-16(23)11-5-10(7-19-11)12-8-26-17(20-12)21-14(22)6-13-15-9(1-3-24-13)2-4-25-15/h2,4-5,7-8,13,19H,1,3,6H2,(H2,18,23)(H,20,21,22)/t13-/m0/s1
InChIKeyZGEHTFOHTPUUJZ-ZDUSSCGKSA-N
MW388.47 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 97185195) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID97185195
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)C[C@@H]3OCCc4ccsc43)n2)c[nH]1
InChIInChI=1S/C17H16N4O3S2/c18-16(23)11-5-10(7-19-11)12-8-26-17(20-12)21-14(22)6-13-15-9(1-3-24-13)2-4-25-15/h2,4-5,7-8,13,19H,1,3,6H2,(H2,18,23)(H,20,21,22)/t13-/m0/s1
InChIKeyZGEHTFOHTPUUJZ-ZDUSSCGKSA-N
XLogP2.94
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119702123
4-[2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 98785729
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151893
4-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46531472
4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134053369
4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 119702128
(2S)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 167814774
4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55530961
4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55527955

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 97185195) is 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)C[C@@H]3OCCc4ccsc43)n2)c[nH]1.
What is the InChIKey of 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZGEHTFOHTPUUJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c18-16(23)11-5-10(7-19-11)12-8-26-17(20-12)21-14(22)6-13-15-9(1-3-24-13)2-4-25-15/h2,4-5,7-8,13,19H,1,3,6H2,(H2,18,23)(H,20,21,22)/t13-/m0/s1.
What are the key properties of 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97185195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).