4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide

C16H17N5OS — CID 138034199

IUPAC4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide
SMILESCCNc1ncnc2cc(C(=O)NCc3cnc(C)s3)ccc12
InChIInChI=1S/C16H17N5OS/c1-3-17-15-13-5-4-11(6-14(13)20-9-21-15)16(22)19-8-12-7-18-10(2)23-12/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,20,21)
InChIKeyCLKCPKPRVPMSIG-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.76
Rot. Bonds5

About 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide

4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide (PubChem CID 138034199) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide
PubChem CID138034199
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide
SMILESCCNc1ncnc2cc(C(=O)NCc3cnc(C)s3)ccc12
InChIInChI=1S/C16H17N5OS/c1-3-17-15-13-5-4-11(6-14(13)20-9-21-15)16(22)19-8-12-7-18-10(2)23-12/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,20,21)
InChIKeyCLKCPKPRVPMSIG-UHFFFAOYSA-N
XLogP2.76
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80807701
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 86836288
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide (CID 138034199) is 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide is CCNc1ncnc2cc(C(=O)NCc3cnc(C)s3)ccc12.
What is the InChIKey of 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide?
The InChIKey is CLKCPKPRVPMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-17-15-13-5-4-11(6-14(13)20-9-21-15)16(22)19-8-12-7-18-10(2)23-12/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,20,21).
What are the key properties of 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide?
4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-7-carboxamide is sourced from PubChem (CID 138034199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).