N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C19H19N5O3S2 — CID 155311084

IUPACN-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCC1=NNC(c2ccc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)cc2)O1
InChIInChI=1S/C19H19N5O3S2/c1-11-22-23-17(27-11)12-2-4-13(5-3-12)20-16(25)14-10-15-18(28-14)21-19(29-15)24-6-8-26-9-7-24/h2-5,10,17,23H,6-9H2,1H3,(H,20,25)
InChIKeyHPKHABNTPKCMIG-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 155311084) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID155311084
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC NameN-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCC1=NNC(c2ccc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)cc2)O1
InChIInChI=1S/C19H19N5O3S2/c1-11-22-23-17(27-11)12-2-4-13(5-3-12)20-16(25)14-10-15-18(28-14)21-19(29-15)24-6-8-26-9-7-24/h2-5,10,17,23H,6-9H2,1H3,(H,20,25)
InChIKeyHPKHABNTPKCMIG-UHFFFAOYSA-N
XLogP3.40
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
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CID 118618803
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783713
(2S,3R)-2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41312650
(2R,3S)-2,3-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41312649
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618713
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783709
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
4-acetyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide
CID 9362111
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CID 99172414

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 155311084) is N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is CC1=NNC(c2ccc(NC(=O)c3cc4sc(N5CCOCC5)nc4s3)cc2)O1.
What is the InChIKey of N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is HPKHABNTPKCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-11-22-23-17(27-11)12-2-4-13(5-3-12)20-16(25)14-10-15-18(28-14)21-19(29-15)24-6-8-26-9-7-24/h2-5,10,17,23H,6-9H2,1H3,(H,20,25).
What are the key properties of N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 155311084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).