N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide

C19H24N6OS — CID 119060671

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
SMILESCC(C)C(Nc1ncnc2ccccc12)C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C19H24N6OS/c1-12(2)16(18(26)21-9-5-6-13-10-27-19(20)24-13)25-17-14-7-3-4-8-15(14)22-11-23-17/h3-4,7-8,10-12,16H,5-6,9H2,1-2H3,(H2,20,24)(H,21,26)(H,22,23,25)
InChIKeyBNOCVDKKMLCYFQ-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.85
Rot. Bonds8

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide (PubChem CID 119060671) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
PubChem CID119060671
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
SMILESCC(C)C(Nc1ncnc2ccccc12)C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C19H24N6OS/c1-12(2)16(18(26)21-9-5-6-13-10-27-19(20)24-13)25-17-14-7-3-4-8-15(14)22-11-23-17/h3-4,7-8,10-12,16H,5-6,9H2,1-2H3,(H2,20,24)(H,21,26)(H,22,23,25)
InChIKeyBNOCVDKKMLCYFQ-UHFFFAOYSA-N
XLogP2.85
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(quinazolin-4-ylamino)butanamide
CID 124842175
(2R)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(quinazolin-4-ylamino)butanamide
CID 126450772
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 97208174
(2S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-2-(methylamino)pentanamide;dihydrochloride
CID 154902774
(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340668
4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine
CID 72902145
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
N-[2-(4-fluorophenyl)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436198
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72847648
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide (CID 119060671) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide is CC(C)C(Nc1ncnc2ccccc12)C(=O)NCCCc1csc(N)n1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide?
The InChIKey is BNOCVDKKMLCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-12(2)16(18(26)21-9-5-6-13-10-27-19(20)24-13)25-17-14-7-3-4-8-15(14)22-11-23-17/h3-4,7-8,10-12,16H,5-6,9H2,1-2H3,(H2,20,24)(H,21,26)(H,22,23,25).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide has a molecular weight of 384.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 119060671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).