N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

C23H22N6O2S2 — CID 70681104

IUPACN-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)s1
InChIInChI=1S/C23H22N6O2S2/c1-15-2-3-21(32-15)28-22(30)17-10-16(12-24-13-17)19-14-26-23(33-19)27-20-11-18(4-5-25-20)29-6-8-31-9-7-29/h2-5,10-14H,6-9H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyCENRERBBOKRKSW-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.80
Rot. Bonds6

About N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide

N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (PubChem CID 70681104) has the molecular formula C23H22N6O2S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
PubChem CID70681104
Molecular FormulaC23H22N6O2S2
Molecular Weight478.60 g/mol
Exact Mass478.12
IUPAC NameN-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)s1
InChIInChI=1S/C23H22N6O2S2/c1-15-2-3-21(32-15)28-22(30)17-10-16(12-24-13-17)19-14-26-23(33-19)27-20-11-18(4-5-25-20)29-6-8-31-9-7-29/h2-5,10-14H,6-9H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyCENRERBBOKRKSW-UHFFFAOYSA-N
XLogP4.80
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979013
N'-[5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]ethane-1,2-diamine
CID 15979634
N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 24829522
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
3-[5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]prop-2-enylcarbamic acid
CID 173127198
N,N-dimethyl-4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazine-1-sulfonamide
CID 15979014
methoxy-[6-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-2,5-dihydro-1H-azepin-2-yl]methanol
CID 143370841
N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804623
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634

Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide (CID 70681104) is N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(-c3cnc(Nc4cc(N5CCOCC5)ccn4)s3)c2)s1.
What is the InChIKey of N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
The InChIKey is CENRERBBOKRKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S2/c1-15-2-3-21(32-15)28-22(30)17-10-16(12-24-13-17)19-14-26-23(33-19)27-20-11-18(4-5-25-20)29-6-8-31-9-7-29/h2-5,10-14H,6-9H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide?
N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70681104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).