N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C15H22N4OS — CID 96573366

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)CCc2scnc2C)n1
InChIInChI=1S/C15H22N4OS/c1-10-7-11(2)19(18-10)12(3)8-16-15(20)6-5-14-13(4)17-9-21-14/h7,9,12H,5-6,8H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeyDMOQFXDUTOPCTH-LBPRGKRZSA-N
MW306.44 g/mol
LogP2.57
Rot. Bonds6

About N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 96573366) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID96573366
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)CCc2scnc2C)n1
InChIInChI=1S/C15H22N4OS/c1-10-7-11(2)19(18-10)12(3)8-16-15(20)6-5-14-13(4)17-9-21-14/h7,9,12H,5-6,8H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeyDMOQFXDUTOPCTH-LBPRGKRZSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 96573366) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1cc(C)n([C@@H](C)CNC(=O)CCc2scnc2C)n1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is DMOQFXDUTOPCTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-7-11(2)19(18-10)12(3)8-16-15(20)6-5-14-13(4)17-9-21-14/h7,9,12H,5-6,8H2,1-4H3,(H,16,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 306.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 96573366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).