N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide

C17H17ClN4O5S2 — CID 171818899

IUPACN-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide
SMILESCOC[C@@H](C)Nc1cc(C(=O)Nc2nnc(-c3sccc3Cl)s2)oc(=O)c1OC
InChIInChI=1S/C17H17ClN4O5S2/c1-8(7-25-2)19-10-6-11(27-16(24)12(10)26-3)14(23)20-17-22-21-15(29-17)13-9(18)4-5-28-13/h4-6,8,19H,7H2,1-3H3,(H,20,22,23)/t8-/m1/s1
InChIKeyGSGKENUDPQRKLY-MRVPVSSYSA-N
MW456.93 g/mol
LogP3.58
Rot. Bonds8

About N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide

N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide (PubChem CID 171818899) has the molecular formula C17H17ClN4O5S2 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide
PubChem CID171818899
Molecular FormulaC17H17ClN4O5S2
Molecular Weight456.93 g/mol
Exact Mass456.03
IUPAC NameN-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide
SMILESCOC[C@@H](C)Nc1cc(C(=O)Nc2nnc(-c3sccc3Cl)s2)oc(=O)c1OC
InChIInChI=1S/C17H17ClN4O5S2/c1-8(7-25-2)19-10-6-11(27-16(24)12(10)26-3)14(23)20-17-22-21-15(29-17)13-9(18)4-5-28-13/h4-6,8,19H,7H2,1-3H3,(H,20,22,23)/t8-/m1/s1
InChIKeyGSGKENUDPQRKLY-MRVPVSSYSA-N
XLogP3.58
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide?
The IUPAC name of N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide (CID 171818899) is N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide.
What is the SMILES notation for N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide?
The canonical SMILES for N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide is COC[C@@H](C)Nc1cc(C(=O)Nc2nnc(-c3sccc3Cl)s2)oc(=O)c1OC.
What is the InChIKey of N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide?
The InChIKey is GSGKENUDPQRKLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H17ClN4O5S2/c1-8(7-25-2)19-10-6-11(27-16(24)12(10)26-3)14(23)20-17-22-21-15(29-17)13-9(18)4-5-28-13/h4-6,8,19H,7H2,1-3H3,(H,20,22,23)/t8-/m1/s1.
What are the key properties of N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide?
N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-5-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]-6-oxopyran-2-carboxamide is sourced from PubChem (CID 171818899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).