(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone

C14H16N2OS — CID 94692761

IUPAC(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2csc(N)n2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-3-4-10-5-7-11(8-6-10)13(17)12-9-18-14(15)16-12/h5-9H,2-4H2,1H3,(H2,15,16)
InChIKeyROVXHQYQNZECTH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.30
Rot. Bonds5

About (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone

(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone (PubChem CID 94692761) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
PubChem CID94692761
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2csc(N)n2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-3-4-10-5-7-11(8-6-10)13(17)12-9-18-14(15)16-12/h5-9H,2-4H2,1H3,(H2,15,16)
InChIKeyROVXHQYQNZECTH-UHFFFAOYSA-N
XLogP3.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
1-(2-amino-1,3-thiazol-4-yl)hexan-1-one
CID 102530242
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
CID 102706964
1-(4-butylphenyl)-2-sulfanylethanone
CID 94681416
propyl 2-amino-1,3-thiazole-4-carboxylate
CID 58670395
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
amino 4-butylbenzoate
CID 68976158

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone (CID 94692761) is (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone is CCCCc1ccc(C(=O)c2csc(N)n2)cc1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone?
The InChIKey is ROVXHQYQNZECTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-3-4-10-5-7-11(8-6-10)13(17)12-9-18-14(15)16-12/h5-9H,2-4H2,1H3,(H2,15,16).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone?
(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone has a molecular weight of 260.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone is sourced from PubChem (CID 94692761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).