1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea

C19H23N5OS — CID 42809298

IUPAC1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
SMILESCC(C)(C)NC(=O)NCCNc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H23N5OS/c1-19(2,3)24-18(25)21-11-10-20-16-13-7-4-5-8-14(13)22-17(23-16)15-9-6-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,22,23)(H2,21,24,25)
InChIKeyTZDRGUSWDOGQKZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.87
Rot. Bonds5

About 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea

1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea (PubChem CID 42809298) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
PubChem CID42809298
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea
SMILESCC(C)(C)NC(=O)NCCNc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H23N5OS/c1-19(2,3)24-18(25)21-11-10-20-16-13-7-4-5-8-14(13)22-17(23-16)15-9-6-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,22,23)(H2,21,24,25)
InChIKeyTZDRGUSWDOGQKZ-UHFFFAOYSA-N
XLogP3.87
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-thiophen-2-ylquinazolin-4-yl)amino]hexanoic acid
CID 91964437
2-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethylsulfonyl]ethanol
CID 19392297
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
N-(3-phenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2579035
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
N-[2-[(7-chloro-2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]-3-methylbutanamide
CID 42809220
3-methyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]pentanoic acid
CID 91964442
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 4827480
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea (CID 42809298) is 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea is CC(C)(C)NC(=O)NCCNc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea?
The InChIKey is TZDRGUSWDOGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-19(2,3)24-18(25)21-11-10-20-16-13-7-4-5-8-14(13)22-17(23-16)15-9-6-12-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,22,23)(H2,21,24,25).
What are the key properties of 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea?
1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea has a molecular weight of 369.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]urea is sourced from PubChem (CID 42809298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).