N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide

C18H23N5OS — CID 176678266

IUPACN-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
SMILESNC1CCCC(NC(=O)C2=CN(c3ccnc4[nH]ccc34)CCS2)C1
InChIInChI=1S/C18H23N5OS/c19-12-2-1-3-13(10-12)22-18(24)16-11-23(8-9-25-16)15-5-7-21-17-14(15)4-6-20-17/h4-7,11-13H,1-3,8-10,19H2,(H,20,21)(H,22,24)
InChIKeySEJQXUVEFNGSAV-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.34
Rot. Bonds3

About N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide

N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide (PubChem CID 176678266) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
PubChem CID176678266
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
SMILESNC1CCCC(NC(=O)C2=CN(c3ccnc4[nH]ccc34)CCS2)C1
InChIInChI=1S/C18H23N5OS/c19-12-2-1-3-13(10-12)22-18(24)16-11-23(8-9-25-16)15-5-7-21-17-14(15)4-6-20-17/h4-7,11-13H,1-3,8-10,19H2,(H,20,21)(H,22,24)
InChIKeySEJQXUVEFNGSAV-UHFFFAOYSA-N
XLogP2.34
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678146
N-(2-aminocyclohexyl)-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678294
N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678475
N-(2-aminoethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide;benzene
CID 176678183
(4-hydroxypiperidin-1-yl)-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678339
azepane;4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678173
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
CID 175782254
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268751
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166268739
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57382810
cyclohexyl-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 68905075

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
The IUPAC name of N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide (CID 176678266) is N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
The canonical SMILES for N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide is NC1CCCC(NC(=O)C2=CN(c3ccnc4[nH]ccc34)CCS2)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
The InChIKey is SEJQXUVEFNGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c19-12-2-1-3-13(10-12)22-18(24)16-11-23(8-9-25-16)15-5-7-21-17-14(15)4-6-20-17/h4-7,11-13H,1-3,8-10,19H2,(H,20,21)(H,22,24).
What are the key properties of N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide is sourced from PubChem (CID 176678266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).