4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

C18H24N4OS — CID 72901309

IUPAC4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C18H24N4OS/c1-10(2)18-21-12(4)16(24-18)17(23)19-9-15-20-11(3)13-7-5-6-8-14(13)22-15/h10H,5-9H2,1-4H3,(H,19,23)
InChIKeyRAKQYJWYHXXNBI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.48
Rot. Bonds4

About 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72901309) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72901309
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NCc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C18H24N4OS/c1-10(2)18-21-12(4)16(24-18)17(23)19-9-15-20-11(3)13-7-5-6-8-14(13)22-15/h10H,5-9H2,1-4H3,(H,19,23)
InChIKeyRAKQYJWYHXXNBI-UHFFFAOYSA-N
XLogP3.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea
CID 126441632
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 99928628
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 99928629
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
CID 56739994
N-[2-[(4-fluorobenzoyl)amino]ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72837310
3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 77085781
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444984
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 56855023
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131891615
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72901309) is 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NCc1nc(C)c2c(n1)CCCC2.
What is the InChIKey of 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RAKQYJWYHXXNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-10(2)18-21-12(4)16(24-18)17(23)19-9-15-20-11(3)13-7-5-6-8-14(13)22-15/h10H,5-9H2,1-4H3,(H,19,23).
What are the key properties of 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72901309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).