N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C18H17N5O2S — CID 135788199

IUPACN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H17N5O2S/c1-2-22(16(24)9-12-10-23-7-8-26-18(23)19-12)11-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-8,10H,2,9,11H2,1H3,(H,20,21,25)
InChIKeyWVTTZTFTJFPPEL-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.22
Rot. Bonds5

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

N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135788199) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135788199
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H17N5O2S/c1-2-22(16(24)9-12-10-23-7-8-26-18(23)19-12)11-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-8,10H,2,9,11H2,1H3,(H,20,21,25)
InChIKeyWVTTZTFTJFPPEL-UHFFFAOYSA-N
XLogP2.22
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137292591
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135892380
N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821181
2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135520073
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821147
N-ethyl-3-(2-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 136679817
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 135429075
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135788199) is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is WVTTZTFTJFPPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-2-22(16(24)9-12-10-23-7-8-26-18(23)19-12)11-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-8,10H,2,9,11H2,1H3,(H,20,21,25).
What are the key properties of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135788199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).