N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide

C21H17N5O2S — CID 88586525

IUPACN-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide
SMILESC=C(CO)c1ccc(C(=O)Nc2nc3ccc(-c4ccc(N)nc4)nc3s2)cc1
InChIInChI=1S/C21H17N5O2S/c1-12(11-27)13-2-4-14(5-3-13)19(28)26-21-25-17-8-7-16(24-20(17)29-21)15-6-9-18(22)23-10-15/h2-10,27H,1,11H2,(H2,22,23)(H,25,26,28)
InChIKeyFDPFTRHILHNHRM-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.59
Rot. Bonds5

About N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide

N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide (PubChem CID 88586525) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide
PubChem CID88586525
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide
SMILESC=C(CO)c1ccc(C(=O)Nc2nc3ccc(-c4ccc(N)nc4)nc3s2)cc1
InChIInChI=1S/C21H17N5O2S/c1-12(11-27)13-2-4-14(5-3-13)19(28)26-21-25-17-8-7-16(24-20(17)29-21)15-6-9-18(22)23-10-15/h2-10,27H,1,11H2,(H2,22,23)(H,25,26,28)
InChIKeyFDPFTRHILHNHRM-UHFFFAOYSA-N
XLogP3.59
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-hydroxy-2-methylpropan-2-yl)-N-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)benzamide
CID 44548619
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
4-(2-hydroxypropan-2-yl)-N-[5-(2-methoxy-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548454
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
CID 166870985
4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3456818
N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 171486825
4-[5-[(2R)-2,3-dihydroxypropyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 71609695
5-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridine-2-carboxylic acid
CID 127025199
(2R)-N-[5-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2,3-dihydroxypropanamide
CID 45102288
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide (CID 88586525) is N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide is C=C(CO)c1ccc(C(=O)Nc2nc3ccc(-c4ccc(N)nc4)nc3s2)cc1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide?
The InChIKey is FDPFTRHILHNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-12(11-27)13-2-4-14(5-3-13)19(28)26-21-25-17-8-7-16(24-20(17)29-21)15-6-9-18(22)23-10-15/h2-10,27H,1,11H2,(H2,22,23)(H,25,26,28).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide?
N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide has a molecular weight of 403.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(3-hydroxyprop-1-en-2-yl)benzamide is sourced from PubChem (CID 88586525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).