5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine

C17H21N3S — CID 106284803

IUPAC5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cccc3ncccc23)S1
InChIInChI=1S/C17H21N3S/c1-3-12(4-2)16-11-19-17(21-16)20-15-9-5-8-14-13(15)7-6-10-18-14/h5-10,12,16H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyAVUCCYHPBDVMRB-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.55
Rot. Bonds4

About 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine

5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284803) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284803
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cccc3ncccc23)S1
InChIInChI=1S/C17H21N3S/c1-3-12(4-2)16-11-19-17(21-16)20-15-9-5-8-14-13(15)7-6-10-18-14/h5-10,12,16H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyAVUCCYHPBDVMRB-UHFFFAOYSA-N
XLogP4.55
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284902
N-(6-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285482
4-ethyl-4-methyl-N-quinolin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164859
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917
N-(1-cyclopropylpropan-2-yl)quinolin-5-amine
CID 115928345
N-pyridin-2-ylquinolin-5-amine
CID 163837098
N-(3-bromo-4-methoxyphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285384
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N-(piperidin-3-ylmethyl)quinolin-5-amine
CID 80552964
4-[1-(quinolin-5-ylamino)propyl]phenol
CID 43192379
N-[1-(4-methylphenyl)propyl]quinolin-5-amine
CID 43100216

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284803) is 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2cccc3ncccc23)S1.
What is the InChIKey of 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AVUCCYHPBDVMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-12(4-2)16-11-19-17(21-16)20-15-9-5-8-14-13(15)7-6-10-18-14/h5-10,12,16H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 299.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).