N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine

C24H28N4OS — CID 71472387

IUPACN-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C(C)C)CC3)cc2)cs1
InChIInChI=1S/C24H28N4OS/c1-4-29-23-9-12-25-15-21(23)26-24-27-22(16-30-24)20-7-5-18(6-8-20)19-10-13-28(14-11-19)17(2)3/h5-10,12,15-17H,4,11,13-14H2,1-3H3,(H,26,27)
InChIKeyOFAMJJBPZMHJQO-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.84
Rot. Bonds7

About N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine

N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 71472387) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID71472387
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C(C)C)CC3)cc2)cs1
InChIInChI=1S/C24H28N4OS/c1-4-29-23-9-12-25-15-21(23)26-24-27-22(16-30-24)20-7-5-18(6-8-20)19-10-13-28(14-11-19)17(2)3/h5-10,12,15-17H,4,11,13-14H2,1-3H3,(H,26,27)
InChIKeyOFAMJJBPZMHJQO-UHFFFAOYSA-N
XLogP5.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-pyridinyl)-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 161376998
N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23775568
3-[[4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 71472280
N-isoquinolin-5-yl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 10150381
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
CID 71472276
3,4,5-triethoxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3308749
N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127037256
4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175762548
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine (CID 71472387) is N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine is CCOc1ccncc1Nc1nc(-c2ccc(C3=CCN(C(C)C)CC3)cc2)cs1.
What is the InChIKey of N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is OFAMJJBPZMHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-4-29-23-9-12-25-15-21(23)26-24-27-22(16-30-24)20-7-5-18(6-8-20)19-10-13-28(14-11-19)17(2)3/h5-10,12,15-17H,4,11,13-14H2,1-3H3,(H,26,27).
What are the key properties of N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine?
N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 420.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyridinyl)-4-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71472387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).