N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C22H27ClN4OS — CID 135284503

IUPACN-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(-c3ccc(OCC(C)(N)CC(C)C)c(Cl)c3)ccn2)n1
InChIInChI=1S/C22H27ClN4OS/c1-14(2)11-22(4,24)13-28-19-6-5-16(9-18(19)23)17-7-8-25-20(10-17)27-21-26-15(3)12-29-21/h5-10,12,14H,11,13,24H2,1-4H3,(H,25,26,27)
InChIKeyFOSTYRSDTXAEGJ-UHFFFAOYSA-N
MW431.01 g/mol
LogP6.05
Rot. Bonds8

About N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 135284503) has the molecular formula C22H27ClN4OS and a molecular weight of 431.01 g/mol. Its IUPAC name is N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID135284503
Molecular FormulaC22H27ClN4OS
Molecular Weight431.01 g/mol
Exact Mass430.16
IUPAC NameN-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(-c3ccc(OCC(C)(N)CC(C)C)c(Cl)c3)ccn2)n1
InChIInChI=1S/C22H27ClN4OS/c1-14(2)11-22(4,24)13-28-19-6-5-16(9-18(19)23)17-7-8-25-20(10-17)27-21-26-15(3)12-29-21/h5-10,12,14H,11,13,24H2,1-4H3,(H,25,26,27)
InChIKeyFOSTYRSDTXAEGJ-UHFFFAOYSA-N
XLogP6.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.01
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
CID 150312529
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
CID 118420360
1-[2-chloro-4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 137459412
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]pyrimidin-2-yl]-methylcarbamic acid
CID 137350692
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
(2S)-1-[2-chloro-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135284515
1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 134285449
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
N-[4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 145286245
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(difluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 118419714
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]propanamide
CID 152925171

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 135284503) is N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2cc(-c3ccc(OCC(C)(N)CC(C)C)c(Cl)c3)ccn2)n1.
What is the InChIKey of N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is FOSTYRSDTXAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4OS/c1-14(2)11-22(4,24)13-28-19-6-5-16(9-18(19)23)17-7-8-25-20(10-17)27-21-26-15(3)12-29-21/h5-10,12,14H,11,13,24H2,1-4H3,(H,25,26,27).
What are the key properties of N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 431.01 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 135284503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).