N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine

C20H19N3OS — CID 108772054

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCc1nc(-c2ccc(Nc3nc4cc(C(C)C)ccc4o3)cc2)cs1
InChIInChI=1S/C20H19N3OS/c1-12(2)15-6-9-19-17(10-15)23-20(24-19)22-16-7-4-14(5-8-16)18-11-25-13(3)21-18/h4-12H,1-3H3,(H,22,23)
InChIKeyBIIWJQXCXLSWMM-UHFFFAOYSA-N
MW349.46 g/mol
LogP6.13
Rot. Bonds4

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 108772054) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID108772054
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCc1nc(-c2ccc(Nc3nc4cc(C(C)C)ccc4o3)cc2)cs1
InChIInChI=1S/C20H19N3OS/c1-12(2)15-6-9-19-17(10-15)23-20(24-19)22-16-7-4-14(5-8-16)18-11-25-13(3)21-18/h4-12H,1-3H3,(H,22,23)
InChIKeyBIIWJQXCXLSWMM-UHFFFAOYSA-N
XLogP6.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-[[4-[2-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776317
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
2-N-(4-propan-2-ylphenyl)-1,3-benzoxazole-2,6-diamine
CID 79890771
6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772038
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate
CID 108774184
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 108772054) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine is Cc1nc(-c2ccc(Nc3nc4cc(C(C)C)ccc4o3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is BIIWJQXCXLSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12(2)15-6-9-19-17(10-15)23-20(24-19)22-16-7-4-14(5-8-16)18-11-25-13(3)21-18/h4-12H,1-3H3,(H,22,23).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 349.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 108772054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).