(5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H29FN4O2S — CID 98439866

About (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98439866) has the molecular formula C24H29FN4O2S and a molecular weight of 456.59 g/mol. Its IUPAC name is (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 98439866
• Molecular Formula: C24H29FN4O2S
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.20
• IUPAC Name: (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)N(C)C(C)C)[C@@H](c2ccc(F)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1
• InChI: InChI=1S/C24H29FN4O2S/c1-14(2)28(4)23(31)21-15(3)27-24-29(22(21)17-7-9-18(25)10-8-17)19(13-32-24)11-20(30)26-12-16-5-6-16/h7-10,13-14,16,22H,5-6,11-12H2,1-4H3,(H,26,30)/t22-/m1/s1
• InChIKey: CQYGHCXZGVPTNV-JOCHJYFZSA-N
• XLogP: 4.18
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98439866) is (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)N(C)C(C)C)[C@@H](c2ccc(F)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1.

What is the InChIKey of (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is CQYGHCXZGVPTNV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29FN4O2S/c1-14(2)28(4)23(31)21-15(3)27-24-29(22(21)17-7-9-18(25)10-8-17)19(13-32-24)11-20(30)26-12-16-5-6-16/h7-10,13-14,16,22H,5-6,11-12H2,1-4H3,(H,26,30)/t22-/m1/s1.

What are the key properties of (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98439866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).