N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide

C18H18FN5O2S — CID 91042397

IUPACN-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)c1cnc(C(=O)Nc2cc(-c3cc(N)c(=O)[nH]n3)ccc2F)s1
InChIInChI=1S/C18H18FN5O2S/c1-18(2,3)14-8-21-17(27-14)16(26)22-13-6-9(4-5-10(13)19)12-7-11(20)15(25)24-23-12/h4-8H,1-3H3,(H2,20,23)(H,22,26)(H,24,25)
InChIKeyPTXMVPQPBOAMMA-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.16
Rot. Bonds3

About N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide

N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide (PubChem CID 91042397) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide
PubChem CID91042397
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC NameN-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)c1cnc(C(=O)Nc2cc(-c3cc(N)c(=O)[nH]n3)ccc2F)s1
InChIInChI=1S/C18H18FN5O2S/c1-18(2,3)14-8-21-17(27-14)16(26)22-13-6-9(4-5-10(13)19)12-7-11(20)15(25)24-23-12/h4-8H,1-3H3,(H2,20,23)(H,22,26)(H,24,25)
InChIKeyPTXMVPQPBOAMMA-UHFFFAOYSA-N
XLogP3.16
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-2-carboxamide
CID 44215716
1-butyl-6-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 47068256
2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-(3-(2-methylthiazol-4-yl)phenyl)acetamide
CID 52416544
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-1,3-thiazole-2-carboxamide
CID 69090014
4-(4-fluorophenyl)-N-isopropyl-5-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-1,3-thiazole-2-carboxamide
CID 69677739
4-(4-fluorophenyl)-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-2-carboxamide
CID 69677789
4-(4-fluorophenyl)-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-2-carboxamide
CID 69677791
4-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-1,3-thiazole-2-carboxamide
CID 69677816
4-(4-fluorophenyl)-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide
CID 69677862
4-(4-fluorophenyl)-5-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-N-propyl-1,3-thiazole-2-carboxamide
CID 69678042
4-(4-fluorophenyl)-N',N'-dimethyl-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-1,3-thiazole-2-carbohydrazide
CID 69678201
4-(2-fluorophenyl)-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-2-carboxamide
CID 69678258

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide (CID 91042397) is N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide is CC(C)(C)c1cnc(C(=O)Nc2cc(-c3cc(N)c(=O)[nH]n3)ccc2F)s1.
What is the InChIKey of N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide?
The InChIKey is PTXMVPQPBOAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-18(2,3)14-8-21-17(27-14)16(26)22-13-6-9(4-5-10(13)19)12-7-11(20)15(25)24-23-12/h4-8H,1-3H3,(H2,20,23)(H,22,26)(H,24,25).
What are the key properties of N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide?
N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-6-oxo-1H-pyridazin-3-yl)-2-fluorophenyl]-5-tert-butyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91042397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).