N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C16H23N5O2S — CID 47067702

IUPACN-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)cs1
InChIInChI=1S/C16H23N5O2S/c1-9(2)14(23)19-15-17-10(8-24-15)6-13(22)18-12-7-11(20-21-12)16(3,4)5/h7-9H,6H2,1-5H3,(H,17,19,23)(H2,18,20,21,22)
InChIKeyXVRFLFBCMSYQTD-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 47067702) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID47067702
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)cs1
InChIInChI=1S/C16H23N5O2S/c1-9(2)14(23)19-15-17-10(8-24-15)6-13(22)18-12-7-11(20-21-12)16(3,4)5/h7-9H,6H2,1-5H3,(H,17,19,23)(H2,18,20,21,22)
InChIKeyXVRFLFBCMSYQTD-UHFFFAOYSA-N
XLogP2.94
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119606563
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
2-methyl-2-[4-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697209
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
N-[4-[2-[(6-amino-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119618303
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
CID 112686898
N-[4-[2-[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 166245454
2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 47071100
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119420969

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 47067702) is N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)Nc2cc(C(C)(C)C)[nH]n2)cs1.
What is the InChIKey of N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is XVRFLFBCMSYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-9(2)14(23)19-15-17-10(8-24-15)6-13(22)18-12-7-11(20-21-12)16(3,4)5/h7-9H,6H2,1-5H3,(H,17,19,23)(H2,18,20,21,22).
What are the key properties of N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 47067702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).