N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

C22H17N3OS — CID 21284358

IUPACN-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccn2c1CSC2c1cccnc1
InChIInChI=1S/C22H17N3OS/c26-21(24-19-9-3-6-15-5-1-2-8-17(15)19)18-10-12-25-20(18)14-27-22(25)16-7-4-11-23-13-16/h1-13,22H,14H2,(H,24,26)
InChIKeyDNSCOAQLBPRAOT-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.08
Rot. Bonds3

About N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (PubChem CID 21284358) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
PubChem CID21284358
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccn2c1CSC2c1cccnc1
InChIInChI=1S/C22H17N3OS/c26-21(24-19-9-3-6-15-5-1-2-8-17(15)19)18-10-12-25-20(18)14-27-22(25)16-7-4-11-23-13-16/h1-13,22H,14H2,(H,24,26)
InChIKeyDNSCOAQLBPRAOT-UHFFFAOYSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284366
N-[3-(4-methoxyphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285586
N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285592
ethyl 2-[3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)amino]benzoyl]benzoate
CID 21285567
3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943742
3-benzamido-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide;hydrate
CID 67943731
3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943740
N-[3-[(E)-N-[2-(methylamino)ethoxy]-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide;hydrochloride
CID 88502763
3-(2-phenylethoxy)-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943734
N-[2-chloro-5-[(E)-N-(2-morpholin-4-ylethoxy)-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 88502768
(7-phenylmethoxy-1H-indol-3-yl)-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)methanone
CID 15292730
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The IUPAC name of N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (CID 21284358) is N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is O=C(Nc1cccc2ccccc12)c1ccn2c1CSC2c1cccnc1.
What is the InChIKey of N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The InChIKey is DNSCOAQLBPRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(24-19-9-3-6-15-5-1-2-8-17(15)19)18-10-12-25-20(18)14-27-22(25)16-7-4-11-23-13-16/h1-13,22H,14H2,(H,24,26).
What are the key properties of N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 21284358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).