(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide

C19H26N6OS — CID 51593987

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide
SMILESCCC[C@@H](C(=O)Nc1nc(-c2cnn(CC)c2C)cs1)n1nc(C)cc1C
InChIInChI=1S/C19H26N6OS/c1-6-8-17(25-13(4)9-12(3)23-25)18(26)22-19-21-16(11-27-19)15-10-20-24(7-2)14(15)5/h9-11,17H,6-8H2,1-5H3,(H,21,22,26)/t17-/m0/s1
InChIKeyDOFCZUPPEFYVKI-KRWDZBQOSA-N
MW386.53 g/mol
LogP4.13
Rot. Bonds7

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 51593987) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide
PubChem CID51593987
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide
SMILESCCC[C@@H](C(=O)Nc1nc(-c2cnn(CC)c2C)cs1)n1nc(C)cc1C
InChIInChI=1S/C19H26N6OS/c1-6-8-17(25-13(4)9-12(3)23-25)18(26)22-19-21-16(11-27-19)15-10-20-24(7-2)14(15)5/h9-11,17H,6-8H2,1-5H3,(H,21,22,26)/t17-/m0/s1
InChIKeyDOFCZUPPEFYVKI-KRWDZBQOSA-N
XLogP4.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589846
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-imidazol-1-ylacetamide
CID 46969511
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092784
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide
CID 46978343
4-[(3,5-dimethylphenoxy)methyl]-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19505564
3-(3-bromophenyl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495749
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46972105
2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119273540
2-ethyl-6-methyl-4-[2-(propylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442767
2-(3,5-dimethylpyrazol-1-yl)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 110244385
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 4784781

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide (CID 51593987) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide is CCC[C@@H](C(=O)Nc1nc(-c2cnn(CC)c2C)cs1)n1nc(C)cc1C.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is DOFCZUPPEFYVKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-6-8-17(25-13(4)9-12(3)23-25)18(26)22-19-21-16(11-27-19)15-10-20-24(7-2)14(15)5/h9-11,17H,6-8H2,1-5H3,(H,21,22,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 386.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 51593987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).