N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide

C18H15N5O3S — CID 58925673

IUPACN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H15N5O3S/c24-16(9-5-6-9)21-18-20-15-13(27-18)14(22-23-15)19-17(25)11-7-10-3-1-2-4-12(10)26-8-11/h1-4,7,9H,5-6,8H2,(H3,19,20,21,22,23,24,25)
InChIKeyIFCVYDQAEIIVHA-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.78
Rot. Bonds4

About N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide

N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide (PubChem CID 58925673) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide
PubChem CID58925673
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)C1=Cc2ccccc2OC1
InChIInChI=1S/C18H15N5O3S/c24-16(9-5-6-9)21-18-20-15-13(27-18)14(22-23-15)19-17(25)11-7-10-3-1-2-4-12(10)26-8-11/h1-4,7,9H,5-6,8H2,(H3,19,20,21,22,23,24,25)
InChIKeyIFCVYDQAEIIVHA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide (CID 58925673) is N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide is O=C(Nc1[nH]nc2nc(NC(=O)C3CC3)sc12)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide?
The InChIKey is IFCVYDQAEIIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-16(9-5-6-9)21-18-20-15-13(27-18)14(22-23-15)19-17(25)11-7-10-3-1-2-4-12(10)26-8-11/h1-4,7,9H,5-6,8H2,(H3,19,20,21,22,23,24,25).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide?
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 58925673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).