N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

C18H17N7OS — CID 71101764

IUPACN-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESNCCNc1ccncc1NC(=O)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C18H17N7OS/c19-6-8-21-13-5-7-20-10-14(13)23-17(26)15-11-27-18(24-15)25-16-4-2-1-3-12(16)9-22-25/h1-5,7,9-11H,6,8,19H2,(H,20,21)(H,23,26)
InChIKeyZECAHNZGMNNSHY-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.50
Rot. Bonds6

About N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 71101764) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
PubChem CID71101764
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESNCCNc1ccncc1NC(=O)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C18H17N7OS/c19-6-8-21-13-5-7-20-10-14(13)23-17(26)15-11-27-18(24-15)25-16-4-2-1-3-12(16)9-22-25/h1-5,7,9-11H,6,8,19H2,(H,20,21)(H,23,26)
InChIKeyZECAHNZGMNNSHY-UHFFFAOYSA-N
XLogP2.50
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (CID 71101764) is N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is NCCNc1ccncc1NC(=O)c1csc(-n2ncc3ccccc32)n1.
What is the InChIKey of N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZECAHNZGMNNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c19-6-8-21-13-5-7-20-10-14(13)23-17(26)15-11-27-18(24-15)25-16-4-2-1-3-12(16)9-22-25/h1-5,7,9-11H,6,8,19H2,(H,20,21)(H,23,26).
What are the key properties of N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71101764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).