N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide

C17H19N5OS — CID 110436119

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
SMILESCc1csc(CCNC(=O)CCNc2ncnc3ccccc23)n1
InChIInChI=1S/C17H19N5OS/c1-12-10-24-16(22-12)7-9-18-15(23)6-8-19-17-13-4-2-3-5-14(13)20-11-21-17/h2-5,10-11H,6-9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyRNABCLPRTPWPOF-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide (PubChem CID 110436119) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
PubChem CID110436119
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
SMILESCc1csc(CCNC(=O)CCNc2ncnc3ccccc23)n1
InChIInChI=1S/C17H19N5OS/c1-12-10-24-16(22-12)7-9-18-15(23)6-8-19-17-13-4-2-3-5-14(13)20-11-21-17/h2-5,10-11H,6-9H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyRNABCLPRTPWPOF-UHFFFAOYSA-N
XLogP2.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110446261
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
2-hydrazinyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]quinazolin-4-amine
CID 80907701
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide (CID 110436119) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide is Cc1csc(CCNC(=O)CCNc2ncnc3ccccc23)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide?
The InChIKey is RNABCLPRTPWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-10-24-16(22-12)7-9-18-15(23)6-8-19-17-13-4-2-3-5-14(13)20-11-21-17/h2-5,10-11H,6-9H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide has a molecular weight of 341.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).