2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C19H22N4O2S — CID 42111320

IUPAC2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3cc(C)nn3CC)n2)cc1
InChIInChI=1S/C19H22N4O2S/c1-4-10-25-15-8-6-14(7-9-15)16-12-26-19(20-16)21-18(24)17-11-13(3)22-23(17)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21,24)
InChIKeyMONCWXAPXKYDIX-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.38
Rot. Bonds7

About 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 42111320) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID42111320
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3cc(C)nn3CC)n2)cc1
InChIInChI=1S/C19H22N4O2S/c1-4-10-25-15-8-6-14(7-9-15)16-12-26-19(20-16)21-18(24)17-11-13(3)22-23(17)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21,24)
InChIKeyMONCWXAPXKYDIX-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
1-ethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzotriazole-5-carboxamide
CID 16550447
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224461
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311
2,3,4,5-tetrafluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550455
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39768846
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
2,3-dichloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550460
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 42111320) is 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CCCOc1ccc(-c2csc(NC(=O)c3cc(C)nn3CC)n2)cc1.
What is the InChIKey of 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is MONCWXAPXKYDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-4-10-25-15-8-6-14(7-9-15)16-12-26-19(20-16)21-18(24)17-11-13(3)22-23(17)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21,24).
What are the key properties of 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 42111320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).