2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide

C16H17FN4O3S — CID 171350307

IUPAC2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC[18F]
InChIInChI=1S/C16H17FN4O3S/c1-18-14(23)12-15(24-7-5-17)21-16(25-12)10-4-6-19-11(8-10)20-13(22)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,23)(H,19,20,22)/i17-1
InChIKeyHQMGVAKVJOQQPW-SJPDSGJFSA-N
MW363.40 g/mol
LogP2.26
Rot. Bonds7

About 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 171350307) has the molecular formula C16H17FN4O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID171350307
Molecular FormulaC16H17FN4O3S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC[18F]
InChIInChI=1S/C16H17FN4O3S/c1-18-14(23)12-15(24-7-5-17)21-16(25-12)10-4-6-19-11(8-10)20-13(22)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,23)(H,19,20,22)/i17-1
InChIKeyHQMGVAKVJOQQPW-SJPDSGJFSA-N
XLogP2.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide (CID 171350307) is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC[18F].
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HQMGVAKVJOQQPW-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H17FN4O3S/c1-18-14(23)12-15(24-7-5-17)21-16(25-12)10-4-6-19-11(8-10)20-13(22)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,23)(H,19,20,22)/i17-1.
What are the key properties of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide?
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171350307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).