N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide

C14H17N5OS — CID 122263908

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C14H17N5OS/c1-2-3-11-13(21-19-18-11)14(20)15-7-10-6-12(9-4-5-9)17-8-16-10/h6,8-9H,2-5,7H2,1H3,(H,15,20)
InChIKeyDDEAPYDUQLBIID-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.09
Rot. Bonds6

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 122263908) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID122263908
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C14H17N5OS/c1-2-3-11-13(21-19-18-11)14(20)15-7-10-6-12(9-4-5-9)17-8-16-10/h6,8-9H,2-5,7H2,1H3,(H,15,20)
InChIKeyDDEAPYDUQLBIID-UHFFFAOYSA-N
XLogP2.09
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide (CID 122263908) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1cc(C2CC2)ncn1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is DDEAPYDUQLBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-3-11-13(21-19-18-11)14(20)15-7-10-6-12(9-4-5-9)17-8-16-10/h6,8-9H,2-5,7H2,1H3,(H,15,20).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 122263908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).