N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C18H17N5O2S — CID 137292591

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1cn2ccsc2n1
InChIInChI=1S/C18H17N5O2S/c24-16(19-10-12-11-23-8-9-26-18(23)20-12)7-3-6-15-21-14-5-2-1-4-13(14)17(25)22-15/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,19,24)(H,21,22,25)
InChIKeyADFRGTGWGARUIY-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.27
Rot. Bonds6

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137292591) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137292591
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1cn2ccsc2n1
InChIInChI=1S/C18H17N5O2S/c24-16(19-10-12-11-23-8-9-26-18(23)20-12)7-3-6-15-21-14-5-2-1-4-13(14)17(25)22-15/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,19,24)(H,21,22,25)
InChIKeyADFRGTGWGARUIY-UHFFFAOYSA-N
XLogP2.27
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide with MolForge

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Related Compounds

N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135788199
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137300679
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137282586
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137292591) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is ADFRGTGWGARUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-16(19-10-12-11-23-8-9-26-18(23)20-12)7-3-6-15-21-14-5-2-1-4-13(14)17(25)22-15/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,19,24)(H,21,22,25).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 367.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137292591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).