N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C26H24ClN11O2S2 — CID 160887198

IUPACN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCc1ncn(-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c1-c1ccccc1Cl.Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C18H15ClN6OS.C8H9N5OS/c1-9-13(11-4-2-3-5-12(11)19)25(8-20-9)16-14-15(23-24-16)21-18(27-14)22-17(26)10-6-7-10;9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h2-5,8,10H,6-7H2,1H3,(H2,21,22,23,24,26);3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeySNUILVADRHZNIZ-UHFFFAOYSA-N
MW622.14 g/mol
LogP5.13
Rot. Bonds6

About N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 160887198) has the molecular formula C26H24ClN11O2S2 and a molecular weight of 622.14 g/mol. Its IUPAC name is N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID160887198
Molecular FormulaC26H24ClN11O2S2
Molecular Weight622.14 g/mol
Exact Mass621.12
IUPAC NameN-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESCc1ncn(-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c1-c1ccccc1Cl.Nc1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C18H15ClN6OS.C8H9N5OS/c1-9-13(11-4-2-3-5-12(11)19)25(8-20-9)16-14-15(23-24-16)21-18(27-14)22-17(26)10-6-7-10;9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h2-5,8,10H,6-7H2,1H3,(H2,21,22,23,24,26);3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeySNUILVADRHZNIZ-UHFFFAOYSA-N
XLogP5.13
TPSA185.18 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.14
LogP ≤ 55.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 160887198) is N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is Cc1ncn(-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c1-c1ccccc1Cl.Nc1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is SNUILVADRHZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6OS.C8H9N5OS/c1-9-13(11-4-2-3-5-12(11)19)25(8-20-9)16-14-15(23-24-16)21-18(27-14)22-17(26)10-6-7-10;9-5-4-6(13-12-5)10-8(15-4)11-7(14)3-1-2-3/h2-5,8,10H,6-7H2,1H3,(H2,21,22,23,24,26);3H,1-2H2,(H4,9,10,11,12,13,14).
What are the key properties of N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 622.14 g/mol, XLogP of 5.13, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide;N-[3-[5-(2-chlorophenyl)-4-methylimidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 160887198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).