N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide

C19H21N7O3S — CID 155523988

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cnc(CNC(=O)c2cnn(-c3ccccc3)c2N)s1)C(N)=O
InChIInChI=1S/C19H21N7O3S/c1-19(2,18(21)29)25-17(28)13-9-22-14(30-13)10-23-16(27)12-8-24-26(15(12)20)11-6-4-3-5-7-11/h3-9H,10,20H2,1-2H3,(H2,21,29)(H,23,27)(H,25,28)
InChIKeyLNWUUENPZOVUNB-UHFFFAOYSA-N
MW427.49 g/mol
LogP0.83
Rot. Bonds7

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 155523988) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
PubChem CID155523988
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cnc(CNC(=O)c2cnn(-c3ccccc3)c2N)s1)C(N)=O
InChIInChI=1S/C19H21N7O3S/c1-19(2,18(21)29)25-17(28)13-9-22-14(30-13)10-23-16(27)12-8-24-26(15(12)20)11-6-4-3-5-7-11/h3-9H,10,20H2,1-2H3,(H2,21,29)(H,23,27)(H,25,28)
InChIKeyLNWUUENPZOVUNB-UHFFFAOYSA-N
XLogP0.83
TPSA158.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide (CID 155523988) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide is CC(C)(NC(=O)c1cnc(CNC(=O)c2cnn(-c3ccccc3)c2N)s1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LNWUUENPZOVUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3S/c1-19(2,18(21)29)25-17(28)13-9-22-14(30-13)10-23-16(27)12-8-24-26(15(12)20)11-6-4-3-5-7-11/h3-9H,10,20H2,1-2H3,(H2,21,29)(H,23,27)(H,25,28).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 0.83, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155523988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).