5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide

C18H15N5O3S — CID 146021897

IUPAC5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C1COc2ccc(-c3csc(NC(=O)c4cc(C5CC5)[nH]n4)n3)cc2N1
InChIInChI=1S/C18H15N5O3S/c24-16-7-26-15-4-3-10(5-12(15)19-16)14-8-27-18(20-14)21-17(25)13-6-11(22-23-13)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,19,24)(H,22,23)(H,20,21,25)
InChIKeyJALIWMALENFZRZ-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.99
Rot. Bonds4

About 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 146021897) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID146021897
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide
SMILESO=C1COc2ccc(-c3csc(NC(=O)c4cc(C5CC5)[nH]n4)n3)cc2N1
InChIInChI=1S/C18H15N5O3S/c24-16-7-26-15-4-3-10(5-12(15)19-16)14-8-27-18(20-14)21-17(25)13-6-11(22-23-13)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,19,24)(H,22,23)(H,20,21,25)
InChIKeyJALIWMALENFZRZ-UHFFFAOYSA-N
XLogP2.99
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide (CID 146021897) is 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide is O=C1COc2ccc(-c3csc(NC(=O)c4cc(C5CC5)[nH]n4)n3)cc2N1.
What is the InChIKey of 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JALIWMALENFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-16-7-26-15-4-3-10(5-12(15)19-16)14-8-27-18(20-14)21-17(25)13-6-11(22-23-13)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,19,24)(H,22,23)(H,20,21,25).
What are the key properties of 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146021897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).