N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide

C24H29FN4O3S — CID 71025691

IUPACN-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(C(=O)N4[C@H](C)CC[C@@H]4C)cc3F)CC2)s1
InChIInChI=1S/C24H29FN4O3S/c1-13-5-6-14(2)29(13)22(31)17-7-8-18(19(25)11-17)15(3)27-23(32)24(9-10-24)28-21(30)20-12-26-16(4)33-20/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,27,32)(H,28,30)/t13-,14+,15-/m1/s1
InChIKeyNFVTWYYUEADHLM-QLFBSQMISA-N
MW472.59 g/mol
LogP3.74
Rot. Bonds6

About N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71025691) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID71025691
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC NameN-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(C(=O)N4[C@H](C)CC[C@@H]4C)cc3F)CC2)s1
InChIInChI=1S/C24H29FN4O3S/c1-13-5-6-14(2)29(13)22(31)17-7-8-18(19(25)11-17)15(3)27-23(32)24(9-10-24)28-21(30)20-12-26-16(4)33-20/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,27,32)(H,28,30)/t13-,14+,15-/m1/s1
InChIKeyNFVTWYYUEADHLM-QLFBSQMISA-N
XLogP3.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 71025691) is N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(C(=O)N4[C@H](C)CC[C@@H]4C)cc3F)CC2)s1.
What is the InChIKey of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NFVTWYYUEADHLM-QLFBSQMISA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-13-5-6-14(2)29(13)22(31)17-7-8-18(19(25)11-17)15(3)27-23(32)24(9-10-24)28-21(30)20-12-26-16(4)33-20/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,27,32)(H,28,30)/t13-,14+,15-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71025691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).